SCHEMBL3161383

SCHEMBL3161383

Nc1nc2[nH]c(CCC#Cc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)o3)cc2c(=O)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FOLR1 P15328 14/20 0.69
FOLR2 P14207 12/20 0.69
GART P22102 16/20 0.66
SLC46A1 Q96NT5 12/20 0.66
SLC19A1 P41440 6/20 0.66

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
SCHEMBL3161406 1.00 FOLR1 (0.69) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL3156359 0.88 FOLR1 (0.57) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL12011079 0.86 GART (0.71) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL3156341 0.86 FOLR1 (0.54) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL3153230 0.84 GART (0.77) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL3153255 0.84 GART (0.77) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL19956090 0.83 FOLR1 (0.49) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL3159155 0.83 GART (0.72) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL1604733 0.83 FOLR1 (0.75) FOLR1FOLR2GARTSLC46A1SLC19A1
SCHEMBL1604742 0.83 FOLR1 (0.75) FOLR1FOLR2GARTSLC46A1SLC19A1

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 25 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 disclosed
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-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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
US-8252804-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) 2012-08-28 US disclosed
US-8252804-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) 2012-08-28 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
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 (7 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 FOLR1 3/4885FOLR2 4/4885GART 26/4885
US-10611767-B2 Selective proton coupled folate transporter and folate receptor, and GARFTase inhibitor compounds and methods of using the same SLC46A1, SLC19A1, FOLR1 FOLR1 3/4885FOLR2 4/4885GART 26/4885
US-20200190097-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 FOLR1 3/4885FOLR2 4/4885GART 26/4885
US-11053252-B2 Selective proton coupled folate transporter and folate receptor, and garftase inhibitor compounds and methods of using the same SLC46A1, SLC19A1, FOLR1 FOLR1 3/4885FOLR2 4/4885GART 26/4885
US-20120295926-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 FOLR1 3/4885FOLR2 4/4885GART 26/4885
US-20180346474-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 FOLR1 3/4885FOLR2 4/4885GART 26/4885
US-20100081676-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 FOLR1 3/4885FOLR2 4/4885GART 26/4885

“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.