SCHEMBL6283502

SCHEMBL6283502

COC(=O)c1sc(C)nc1-c1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.45
ADORA1 P30542 4/20 0.45
ADORA3 P0DMS8 1/20 0.45
F11 P03951 1/20 0.44
PIN1 Q13526 1/20 0.44
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
ADORA2B P29275 2/20 0.43
GRM5 P41594 1/20 0.42
RORC P51449 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
CTSA P10619 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
PLAU P00749 1/20 0.40

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
SCHEMBL6287392 0.87 F11 (0.52) ADORA2AADORA1ADORA3F11PIN1
SCHEMBL6282306 0.85 TRPM8 (0.57) ADORA2AADORA1ADORA3ADORA2BRORC
SCHEMBL6288670 0.83 KMT2A (0.56) ADORA2AADORA1ADORA3ADORA2BRORC
SCHEMBL1967240 0.81 PIN1 (0.49) ADORA2AADORA1ADORA3F11PIN1
SCHEMBL276196 0.81 NTRK1 (0.57) RORCTRPM8
SCHEMBL1919770 0.79 FNTA (0.55) FNTAFNTBGRM5TRPM8
SCHEMBL6279541 0.78 DHODH (0.55) ADORA2AADORA1FNTAFNTB
SCHEMBL6288104 0.78 ALDH1A1 (0.69) ADORA2AFNTAFNTB
SCHEMBL6288115 0.78 FNTA (0.54) FNTAFNTBGRM5TRPM8
SCHEMBL1398686 0.76 GAA (0.50) TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962935-B2 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-20040073029-A1 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors PRUITT JAMES RUSSELL (US) 2004-04-15 US disclosed
US-6569874-B1 Such as 2-acetylamino-4-(3-amidinophenyl)-5-((2'-amino-sulfonyl-(1,1')-biphen-4 -yl)aminocarbonyl)thiazole; for treatment of thromboembolic disorders BRISTOL-MYERS SQUIBB COMPANY 2003-05-27 US disclosed
EP-0946528-B1 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-04-09 EP disclosed
US-6187797-B1 ANTICOAGULANTS; TRYPSINE-LIKE SERINE PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY 2001-02-13 US disclosed
EP-0946528-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028282-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 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 (1 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-20040073029-A1 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors F12, XDH, F2 ADORA2A 1872/4885ADORA1 1600/4885ADORA3 2036/4885

“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.