SCHEMBL1605388

SCHEMBL1605388

O=C(O)CC[C@H](NC(=O)c1ccccn1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 4/20 0.52
GAA P10253 1/20 0.51
EPHX2 P34913 1/20 0.51
GGH Q92820 1/20 0.49
CA2 P00918 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CA1 P00915 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
FOLH1 Q04609 2/20 0.47
RIMKLA Q8IXN7 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14729264 1.00 NAALAD2 (0.52) NAALAD2GAAEPHX2GGHCA2
SCHEMBL27883413 0.89 KMT2A (0.53) EPHX2CA2KDM4ECA1KMT2A
SCHEMBL27883407 0.89 KMT2A (0.53) EPHX2CA2KDM4ECA1KMT2A
SCHEMBL27883399 0.85 EPHX2 (0.50) GAAEPHX2KDM4EKMT2AMAPT
SCHEMBL12984806 0.84 PTGS2 (0.51) EPHX2KDM4EKMT2AMAPTHTT
SCHEMBL27900720 0.84 PTGS2 (0.51) EPHX2KDM4EKMT2AMAPTHTT
SCHEMBL19360027 0.83 FOLH1 (0.61) EPHX2FOLH1SMN1; SMN2
SCHEMBL19361040 0.83 FOLH1 (0.64) FOLH1
SCHEMBL2331560 0.83 PSMB5 (0.49) EPHX2KDM4EKMT2AHTTSMN1; SMN2
SCHEMBL20341502 0.83 KDM4E (0.51) EPHX2KDM4EKMT2AMAPTHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200190097-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2020-06-18 US claimed
US-10611767-B2 Selective proton coupled folate transporter and folate receptor, and GARFTase inhibitor compounds and methods of using the same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-04-07 US claimed
US-20180346474-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-12-06 US claimed
US-10000498-B2 Selective proton coupled folate transporter and folate receptor, and GARFTase inhibitor compounds and methods of using the same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-06-19 US claimed
EP-2995199-B1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME UNIV HOLY GHOST DUQUESNE (US) 2018-03-14 EP claimed
US-20170114066-A1 Selective Proton Coupled Folate Transporter and Folate Receptor, and Garftase Inhibitor Compounds and Methods of Using the Same WAYNE STATE UNIVERSITY 2017-04-27 US claimed
US-9511069-B2 Selective proton coupled folate transporter and folate receptor, and GRAFTase inhibitor compounds and methods of using the same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2016-12-06 US claimed
EP-2995199-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME Duquesne University of The Holy Spirit (US) 2016-03-16 EP claimed
EP-2348843-B1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME UNIV HOLY GHOST DUQUESNE (US) 2015-11-11 EP claimed
EP-2627332-A2 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE AND/OR OTHER FOLATE METABOLIZING ENZYMES INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME Duquesne University of The Holy Spirit (US) 2013-08-21 EP claimed
US-20120295926-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2012-11-22 US claimed
WO-2012051105-A2 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE AND/OR OTHER FOLATE METABOLIZING ENZYMES INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2012-04-19 WO claimed
EP-2348843-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME Duquesne University of the Holy Ghost (US) 2011-08-03 EP claimed
US-20110082158-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE AND/OR OTHER FOLATE METABOLIZING ENZYMES INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-04-07 US claimed
WO-2010039792-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2010-04-08 WO claimed
US-20100081676-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-01 US claimed
US-11053252-B2 Selective proton coupled folate transporter and folate receptor, and garftase inhibitor compounds and methods of using the same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-07-06 US disclosed
US-20210032286-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2021-02-04 US disclosed
WO-2010039792-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2010-04-08 WO disclosed
US-20100081676-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10000498-B2 Selective proton coupled folate transporter and folate receptor, and GARFTase inhibitor compounds and methods of using the same SLC46A1, SLC19A1, FOLR1 NAALAD2 2350/4885GAA 686/4885EPHX2 1792/4885
US-10611767-B2 Selective proton coupled folate transporter and folate receptor, and GARFTase inhibitor compounds and methods of using the same SLC46A1, SLC19A1, FOLR1 NAALAD2 2350/4885GAA 686/4885EPHX2 1792/4885
US-20200190097-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 NAALAD2 2350/4885GAA 686/4885EPHX2 1792/4885
US-20170114066-A1 Selective Proton Coupled Folate Transporter and Folate Receptor, and Garftase Inhibitor Compounds and Methods of Using the Same SLC46A1, SLC19A1, FOLR1 NAALAD2 2350/4885GAA 686/4885EPHX2 1792/4885
US-20110082158-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE AND/OR OTHER FOLATE METABOLIZING ENZYMES INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, FOLR2, FOLR1 NAALAD2 1529/4885GAA 669/4885EPHX2 875/4885
US-11053252-B2 Selective proton coupled folate transporter and folate receptor, and garftase inhibitor compounds and methods of using the same SLC46A1, SLC19A1, FOLR1 NAALAD2 2350/4885GAA 686/4885EPHX2 1792/4885
US-20210032286-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 NAALAD2 31/4885GAA 125/4885EPHX2 3034/4885
US-20120295926-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 NAALAD2 2350/4885GAA 686/4885EPHX2 1792/4885
US-20180346474-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 NAALAD2 2350/4885GAA 686/4885EPHX2 1792/4885
US-20100081676-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 NAALAD2 2350/4885GAA 686/4885EPHX2 1792/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.