SCHEMBL4807599

SCHEMBL4807599

CCC(c1ccc(C(=O)NCc2ccncc2)cc1-c1ccc(C)cc1C(=O)O)c1c[nH]c2cc(C(=N)N)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 11/20 0.42
F3 P13726 11/20 0.42
F2 P00734 10/20 0.42
F10 P00742 10/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 1/20 0.37
EIF4E P06730 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CYP3A4 P08684 2/20 0.36
MMP2 P08253 1/20 0.36
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
MMP13 P45452 1/20 0.36
MAPK14 Q16539 1/20 0.36
PLG P00747 3/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4807169 0.93 F10 (0.42) F7F3F2F10GAA
SCHEMBL4812870 0.92 F2 (0.43) F7F3F2F10SMN1; SMN2
SCHEMBL4804465 0.91 F2 (0.47) F7F3F2F10EIF4E
SCHEMBL4808138 0.90 F7 (0.38) F7F3F2F10ITGB3
SCHEMBL4815194 0.88 ITGB3 (0.43) F7F3F2F10GAA
SCHEMBL4815154 0.88 RAB9A (0.42) F7F3F2F10SMN1; SMN2
SCHEMBL4812155 0.88 F2 (0.37) F7F3F2F10ITGB3
SCHEMBL4815597 0.87 ITGB3 (0.40) F7F3F2F10ITGB3
SCHEMBL4810767 0.86 P2RX3 (0.38) F7F3F2F10ITGB3
SCHEMBL4812746 0.86 F7 (0.35) F7F3F2F10ITGB3

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 F7 7/4885F3 10/4885F2 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.