SCHEMBL3148915

SCHEMBL3148915

Nc1nc2[nH]c(CCCCCCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GART P22102 13/20 1.00
SLC46A1 Q96NT5 10/20 1.00
FOLR1 P15328 13/20 0.98
FOLR2 P14207 8/20 0.95
SLC19A1 P41440 3/20 0.95
ATIC P31939 2/20 0.76

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
SCHEMBL3148901 1.00 GART (1.00) GARTSLC46A1FOLR1FOLR2SLC19A1
SCHEMBL3159163 1.00 GART (1.00) GARTSLC46A1FOLR1FOLR2SLC19A1
SCHEMBL3159196 1.00 GART (1.00) GARTSLC46A1FOLR1FOLR2SLC19A1
SCHEMBL3161287 0.99 GART (1.00) GARTSLC46A1FOLR1FOLR2SLC19A1
SCHEMBL3161261 0.99 GART (1.00) GARTSLC46A1FOLR1FOLR2SLC19A1
SCHEMBL3162474 0.97 FOLR1 (1.00) GARTSLC46A1FOLR1FOLR2SLC19A1
SCHEMBL3162499 0.97 FOLR1 (1.00) GARTSLC46A1FOLR1FOLR2SLC19A1
SCHEMBL13965864 0.88 FOLR1 (0.83) GARTSLC46A1FOLR1FOLR2SLC19A1
SCHEMBL3157049 0.88 GART (0.78) GARTSLC46A1FOLR1FOLR2SLC19A1
SCHEMBL3165324 0.88 GART (0.78) GARTSLC46A1FOLR1FOLR2SLC19A1

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 13 patents. 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-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-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
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
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 disclosed
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 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
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-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 (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 GART 26/4885SLC46A1 1/4885FOLR1 3/4885
US-10611767-B2 Selective proton coupled folate transporter and folate receptor, and GARFTase inhibitor compounds and methods of using the same SLC46A1, SLC19A1, FOLR1 GART 26/4885SLC46A1 1/4885FOLR1 3/4885
US-20200190097-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 GART 26/4885SLC46A1 1/4885FOLR1 3/4885
US-20170114066-A1 Selective Proton Coupled Folate Transporter and Folate Receptor, and Garftase Inhibitor Compounds and Methods of Using the Same SLC46A1, SLC19A1, FOLR1 GART 26/4885SLC46A1 1/4885FOLR1 3/4885
US-11053252-B2 Selective proton coupled folate transporter and folate receptor, and garftase inhibitor compounds and methods of using the same SLC46A1, SLC19A1, FOLR1 GART 26/4885SLC46A1 1/4885FOLR1 3/4885
US-20120295926-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 GART 26/4885SLC46A1 1/4885FOLR1 3/4885
US-20180346474-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 GART 26/4885SLC46A1 1/4885FOLR1 3/4885
US-20100081676-A1 SELECTIVE PROTON COUPLED FOLATE TRANSPORTER AND FOLATE RECEPTOR, AND GARFTASE INHIBITOR COMPOUNDS AND METHODS OF USING THE SAME SLC46A1, SLC19A1, FOLR1 GART 26/4885SLC46A1 1/4885FOLR1 3/4885

“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.