SCHEMBL1605401

SCHEMBL1605401

O=C(O)CC[C@H](NC(=O)c1cccs1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
NAALAD2 Q9Y3Q0 5/20 0.54
CA2 P00918 2/20 0.52
HPGD P15428 2/20 0.52
CA1 P00915 1/20 0.52
RAB9A P51151 1/20 0.50
CTSL P07711 1/20 0.50
GAA P10253 1/20 0.49
HDAC1 Q13547 1/20 0.49
FOLH1 Q04609 1/20 0.49
RIMKLA Q8IXN7 1/20 0.49
HSPA5 P11021 2/20 0.47
HSPA1A P0DMV8 1/20 0.47
HSPA9 P38646 1/20 0.47
HSPA2 P54652 1/20 0.47
GGH Q92820 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
SCHEMBL10569530 1.00 ALDH1A1 (0.55) ALDH1A1NAALAD2CA2HPGDCA1
Methylamine SCHEMBL10771739 0.97 HPGD (0.53) ALDH1A1NAALAD2CA2HPGDCA1
SCHEMBL4384045 0.90 CA2 (0.53) ALDH1A1CA2HPGDCA1RAB9A
SCHEMBL4881536 0.89 HPGD (0.57) ALDH1A1HPGDRAB9ACTSLHDAC1
SCHEMBL9705401 0.83 RAB9A (0.54) ALDH1A1CA2HPGDCA1RAB9A
SCHEMBL9705400 0.83 RAB9A (0.54) ALDH1A1CA2HPGDCA1RAB9A
SCHEMBL11386076 0.83 RAB9A (0.54) ALDH1A1CA2HPGDCA1RAB9A
SCHEMBL8144685 0.82 HSPA5 (0.61) ALDH1A1HPGDRAB9ACTSLGAA
SCHEMBL9955478 0.82 CA2 (0.55) ALDH1A1CA2HPGDCA1RAB9A
SCHEMBL11221728 0.82 CA2 (0.55) ALDH1A1CA2HPGDCA1RAB9A

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 67 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
CN-117897384-A CDK2 inhibitors 缆图药品公司 2024-04-16 CN disclosed
CN-117545771-A Application of cellular immunotherapy 克莱格医学有限公司 2024-02-09 CN disclosed
CN-1409708-A Tyrosine kinase inhibitors MERCK & CO INC (US) 2003-04-09 CN disclosed
US-4882334-A ANTITUMOR AGENTS INHIBIT ENZYMES WHICH USE FOLIC ACID OR ITS METABOLITES AS SUBSTRATE; ANTICARCINOGENIC THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-11-21 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 (8 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 ALDH1A1 1061/4885NAALAD2 2350/4885CA2 611/4885
US-10611767-B2 Selective proton coupled folate transporter and folate receptor, and GARFTase inhibitor compounds and methods of using the same SLC46A1, SLC19A1, FOLR1 ALDH1A1 1061/4885NAALAD2 2350/4885CA2 611/4885
US-20200190097-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 ALDH1A1 1061/4885NAALAD2 2350/4885CA2 611/4885
US-20170114066-A1 Selective Proton Coupled Folate Transporter and Folate Receptor, and Garftase Inhibitor Compounds and Methods of Using the Same SLC46A1, SLC19A1, FOLR1 ALDH1A1 1061/4885NAALAD2 2350/4885CA2 611/4885
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 ALDH1A1 951/4885NAALAD2 1529/4885CA2 602/4885
US-20120295926-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 ALDH1A1 1061/4885NAALAD2 2350/4885CA2 611/4885
US-20180346474-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 ALDH1A1 1061/4885NAALAD2 2350/4885CA2 611/4885
US-20100081676-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 ALDH1A1 1061/4885NAALAD2 2350/4885CA2 611/4885

“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.