SCHEMBL4810037

SCHEMBL4810037

CCC(c1ccc(C(=O)NCc2cncs2)cc1-c1ccc(OC)cc1C(=O)O)c1c[nH]c2cc(C(=N)N)ccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F3 P13726 13/20 0.45
F7 P08709 12/20 0.45
F2 P00734 12/20 0.45
F10 P00742 11/20 0.45
PLG P00747 3/20 0.45
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
F9 P00740 1/20 0.36
PLAU P00749 1/20 0.36
F11 P03951 1/20 0.36
EIF4E P06730 1/20 0.35
ROCK2 O75116 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL4813398 0.89 F7 (0.47) F3F7F2F10PLG
SCHEMBL4804465 0.89 F2 (0.47) F3F7F2F10PLG
SCHEMBL6398611 0.88 F7 (0.51) F3F7F2F10PLG
SCHEMBL4816010 0.88 F3 (0.48) F3F7F2F10PLG
SCHEMBL6393454 0.87 F10 (0.44) F3F7F2F10PLG
SCHEMBL4811267 0.87 F7 (0.44) F3F7F2F10PLG
SCHEMBL4811048 0.87 GAA (0.45) F3F7F2F10PLG
SCHEMBL4811016 0.87 F7 (0.46) F3F7F2F10PLG
SCHEMBL4813441 0.87 F10 (0.47) F3F7F2F10PLG
SCHEMBL4806222 0.87 F7 (0.47) F3F7F2F10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US claimed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 US claimed

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-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent F12, F11, F2 F3 10/4885F7 7/4885F2 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.