SCHEMBL7609490

SCHEMBL7609490

CCOC(=O)CC[C@H](NC(=O)c1ccc(NCCSc2c(N)nc(N)[nH]c2=O)cc1)C(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GART P22102 13/20 0.55
FOLR1 P15328 4/20 0.46
MTHFD1 P11586 1/20 0.44
MTHFD2 P13995 1/20 0.44
DHFR P00374 1/20 0.44

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
SCHEMBL7615333 0.89 GART (0.57) GARTFOLR1DHFR
SCHEMBL7609761 0.89 GART (0.70) GARTFOLR1DHFR
SCHEMBL7609759 0.89 GART (0.70) GARTFOLR1DHFR
SCHEMBL7607120 0.87 GART (0.71) GARTFOLR1
SCHEMBL7609677 0.83 GART (0.77) GARTFOLR1MTHFD1MTHFD2DHFR
SCHEMBL9794858 0.80 GART (0.72) GARTFOLR1
SCHEMBL9794852 0.80 GART (0.72) GARTFOLR1
SCHEMBL7609811 0.78 L3MBTL1 (0.43) DHFR
SCHEMBL7615918 0.77 GART (0.45) GARTFOLR1
SCHEMBL9794843 0.76 GART (0.73) GARTFOLR1DHFR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020173515-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds VARNEY MICHAEL D (US) 2002-11-21 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 (2 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-20010018443-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds GART, GARS1, NUDT1 GART 1/4885FOLR1 586/4885MTHFD1 55/4885
US-20020173515-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds GART, GARS1, NUDT1 GART 1/4885FOLR1 586/4885MTHFD1 55/4885

“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.