SCHEMBL5401917

SCHEMBL5401917

Nc1nc(N)c(SCCc2ccc(N[C@@H](CCC(=O)O)C(=O)O)s2)c(=O)[nH]1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GART P22102 16/20 0.76
FOLR1 P15328 12/20 0.76
SLC46A1 Q96NT5 6/20 0.47
SLC19A1 P41440 4/20 0.47
FOLR2 P14207 3/20 0.47
ATIC P31939 2/20 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
SCHEMBL29497776 0.86 GART (1.00) GARTFOLR1SLC46A1SLC19A1FOLR2
SCHEMBL7607137 0.81 GART (1.00) GARTFOLR1SLC46A1SLC19A1FOLR2
SCHEMBL7614066 0.77 GART (1.00) GARTFOLR1SLC46A1SLC19A1FOLR2
SCHEMBL7612357 0.76 FOLR1 (0.68) GARTFOLR1SLC46A1SLC19A1FOLR2
SCHEMBL7134514 0.75 HDAC1 (0.52) GARTFOLR1
SCHEMBL7615527 0.74 GART (0.81) GARTFOLR1SLC46A1FOLR2ATIC
SCHEMBL7606988 0.74 GART (1.00) GARTFOLR1SLC46A1SLC19A1FOLR2
SCHEMBL7615531 0.73 FOLR1 (0.64) GARTFOLR1SLC46A1SLC19A1FOLR2
SCHEMBL7609290 0.72 GART (0.79) GARTFOLR1
SCHEMBL7609677 0.72 GART (0.77) GARTFOLR1ATIC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594900-A2 COMPOSITIONS AND METHODS FOR THE DETECTION AND TREATMENT OF METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CANCERS Salmedix, Inc. (US) 2005-11-16 EP claimed
US-20040247600-A1 Compositions and methods for the detection and treatment of methylthioadenosine phosphorylase deficient cancers CEPHALON, INC. 2004-12-09 US claimed
WO-2004074325-A2 COMPOSITIONS AND METHODS FOR THE DETECTION AND TREATMENT OF METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CANCERS SALMEDIX, INC (US) 2004-09-02 WO claimed
US-20040127435-A1 Uses for inhibitors of inosine monophosphate dehydrogenase REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-07-01 US claimed
US-20040096436-A1 Method for treating cancer comprising administering to a subject in need of such treatment a therapeutically effective amount of a member selected from an inhibitor of a protein kinase, an enantiomer of such a compound, a prodrug of such a REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-05-20 US claimed
WO-2004012746-A2 NEW USES FOR INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-02-12 WO claimed
WO-2004012769-A1 THERAPEUTIC INHIBITIONOF PROTEIN KINASES IN CANCER CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-02-12 WO claimed
US-7157551-B2 Compositions and methods for the detection and treatment of methylthioadenosine phosphorylase deficient cancers CEPHALON, INC. (US) 2007-01-02 US disclosed
EP-1594900-A2 COMPOSITIONS AND METHODS FOR THE DETECTION AND TREATMENT OF METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CANCERS Salmedix, Inc. (US) 2005-11-16 EP disclosed
US-20040247600-A1 Compositions and methods for the detection and treatment of methylthioadenosine phosphorylase deficient cancers CEPHALON, INC. 2004-12-09 US disclosed
EP-1482977-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2004-12-08 EP disclosed
WO-2004074325-A2 COMPOSITIONS AND METHODS FOR THE DETECTION AND TREATMENT OF METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CANCERS SALMEDIX, INC (US) 2004-09-02 WO disclosed
US-20040127435-A1 Uses for inhibitors of inosine monophosphate dehydrogenase REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-07-01 US disclosed
US-6323210-B2 TRANSFERASE INHIBITOR AGOURON PHARMACEUTICALS, INC. 2001-11-27 US disclosed
US-20010018443-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds VARNEY MICHAEL D (US) 2001-08-30 US disclosed
US-6207670-B1 USE TO INHIBIT GROWTH AND PROLIFERATION OF CELLS OF HIGHER ORGANISMS AND MICROORGANISMS SUCH AS BACTERIA, YEAST AND FUNGI AGOURON PHARMACEUTICALS, INC. 2001-03-27 US disclosed
EP-0674516-B1 ANTIPROLIFERATIVE SUBSTITUTED 5-THIAPYRIMIDINONE AND 5-SELENOPYRIMIDINONE COMPOUNDS AGOURON PHARMA (US) 2000-02-02 EP disclosed
EP-0674516-A4 1995-10-25 EP disclosed
EP-0674516-A1 ANTIPROLIFERATIVE SUBSTITUTED 5-THIAPYRIMIDINONE AND 5-SELENOPYRIMIDINONE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1995-10-04 EP disclosed
WO-1994013295-A1 ANTIPROLIFERATIVE SUBSTITUTED 5-THIAPYRIMIDINONE AND 5-SELENOPYRIMIDINONE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1994-06-23 WO 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 (3 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-20040096436-A1 Method for treating cancer comprising administering to a subject in need of such treatment a therapeutically effective amount of a member selected from an inhibitor of a protein kinase, an enantiomer of such a compound, a prodrug of such a IMPDH1, IMPDH2, DCK GART 57/4885FOLR1 767/4885SLC46A1 1503/4885
US-20010018443-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds GART, GARS1, NUDT1 GART 1/4885FOLR1 586/4885SLC46A1 538/4885
US-20040127435-A1 Uses for inhibitors of inosine monophosphate dehydrogenase IMPDH1, IMPDH2, IMPA1 GART 61/4885FOLR1 551/4885SLC46A1 630/4885

“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.