SCHEMBL1604372

SCHEMBL1604372

O=C(O)CC[C@H](NC(=O)C1CCCN1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
FOLH1 Q04609 4/20 0.49
RIMKLA Q8IXN7 1/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.49
DPP7 Q9UHL4 1/20 0.48
CTSC P53634 3/20 0.44
EPHX2 P34913 1/20 0.41
PRCP P42785 1/20 0.40

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
SCHEMBL19180219 1.00 MEN1 (0.51) MEN1KMT2AFOLH1RIMKLANAALAD2
SCHEMBL21194967 1.00 MEN1 (0.51) MEN1KMT2AFOLH1RIMKLANAALAD2
SCHEMBL5408968 1.00 MEN1 (0.51) MEN1KMT2AFOLH1RIMKLANAALAD2
SCHEMBL29376508 0.95 MEN1 (0.47) MEN1KMT2AFOLH1RIMKLANAALAD2
SCHEMBL29352279 0.89 FOLH1 (0.47) MEN1KMT2AFOLH1RIMKLANAALAD2
SCHEMBL29608142 0.89 MEN1 (0.44) MEN1KMT2AFOLH1RIMKLANAALAD2
SCHEMBL21647349 0.89 KMT2A (0.49) MEN1KMT2ADPP7CTSCPRCP
SCHEMBL5970810 0.89 KMT2A (0.49) MEN1KMT2ADPP7CTSCPRCP
SCHEMBL5970814 0.89 KMT2A (0.49) MEN1KMT2ADPP7CTSCPRCP
SCHEMBL30193508 0.88 MEN1 (0.45) MEN1KMT2AFOLH1RIMKLANAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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 (9 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 MEN1 2402/4885KMT2A 2459/4885FOLH1 16/4885
US-10611767-B2 Selective proton coupled folate transporter and folate receptor, and GARFTase inhibitor compounds and methods of using the same SLC46A1, SLC19A1, FOLR1 MEN1 2402/4885KMT2A 2459/4885FOLH1 16/4885
US-20200190097-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 MEN1 2402/4885KMT2A 2459/4885FOLH1 16/4885
US-20170114066-A1 Selective Proton Coupled Folate Transporter and Folate Receptor, and Garftase Inhibitor Compounds and Methods of Using the Same SLC46A1, SLC19A1, FOLR1 MEN1 2402/4885KMT2A 2459/4885FOLH1 16/4885
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 MEN1 2359/4885KMT2A 2354/4885FOLH1 6/4885
US-11053252-B2 Selective proton coupled folate transporter and folate receptor, and garftase inhibitor compounds and methods of using the same SLC46A1, SLC19A1, FOLR1 MEN1 2402/4885KMT2A 2459/4885FOLH1 16/4885
US-20120295926-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 MEN1 2402/4885KMT2A 2459/4885FOLH1 16/4885
US-20180346474-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 MEN1 2402/4885KMT2A 2459/4885FOLH1 16/4885
US-20100081676-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 MEN1 2402/4885KMT2A 2459/4885FOLH1 16/4885

“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.