SCHEMBL4814596

SCHEMBL4814596

CCC(c1ccccc1-c1cccc(C)c1C(=O)O)c1c[nH]c2cc(C(=N)N)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.41
PLG P00747 3/20 0.39
PLAU P00749 3/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
MGAM O43451 4/20 0.37
GAA P10253 4/20 0.37
SI P14410 4/20 0.37
MGAM2 Q2M2H8 4/20 0.37
PTPN1 P18031 1/20 0.37
KLKB1 P03952 1/20 0.37
F7 P08709 1/20 0.37
F10 P00742 8/20 0.36
PRSS1 P07477 7/20 0.36
F2 P00734 7/20 0.36
F9 P00740 3/20 0.36
PRSS2 P07478 3/20 0.36
PRSS3 P35030 3/20 0.36
PLAT P00750 2/20 0.36
SPR P35270 1/20 0.35

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
SCHEMBL4815494 0.94 GPR84 (0.40) GPR84PLGPLAUITGB3ITGA2B
SCHEMBL4811460 0.87 GPR84 (0.43) GPR84PLGPLAUITGB3ITGA2B
SCHEMBL4815018 0.85 GPR84 (0.40) GPR84PLGPLAUITGB3ITGA2B
SCHEMBL4814934 0.83 SPR (0.45) GPR84PLGPLAUITGB3ITGA2B
SCHEMBL4812980 0.83 IMPDH2 (0.41) GPR84PLGPLAUITGB3ITGA2B
SCHEMBL4809615 0.81 GPR84 (0.38) GPR84PLGPLAUITGB3ITGA2B
SCHEMBL4806737 0.81 GPR84 (0.38) GPR84PLGPLAUITGB3ITGA2B
SCHEMBL4808754 0.81 F10 (0.46) GPR84PLGITGB3ITGA2BMGAM
SCHEMBL4813966 0.81 GPR84 (0.38) GPR84PLGPLAUITGB3ITGA2B
SCHEMBL4813796 0.81 EDNRA (0.38) GPR84PLGPLAUITGB3ITGA2B

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 GPR84 2463/4885PLG 22/4885PLAU 51/4885

“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.