SCHEMBL4811451

SCHEMBL4811451

CCn1cc(Cc2ccccc2-c2ccccc2C(=O)O)c2ccc(C(=N)N)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.41
MCL1 Q07820 9/20 0.39
BAD Q92934 9/20 0.39
F10 P00742 4/20 0.37
F2 P00734 4/20 0.37
PRSS1 P07477 3/20 0.37
F7 P08709 2/20 0.37
PRSS2 P07478 1/20 0.37
F3 P13726 1/20 0.37
PRSS3 P35030 1/20 0.37
F11 P03951 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL4814925 0.92 PLA2G4A (0.40) SLC22A12MCL1BADF10F2
SCHEMBL4815014 0.92 SLC22A12 (0.40) SLC22A12MCL1BADF10F2
SCHEMBL4808748 0.89 ALDH1A1 (0.43) SLC22A12MCL1BADF10F2
SCHEMBL4812974 0.89 TDP1 (0.40) SLC22A12F10F2PRSS1TDP1
SCHEMBL4814585 0.87 SLC22A12 (0.48) SLC22A12MCL1BADF10F2
SCHEMBL4813787 0.87 KDM4E (0.46) SLC22A12TDP1MAPTKDM4EALDH1A1
SCHEMBL4815488 0.87 SLC22A12 (0.42) SLC22A12F10F2PRSS1PRSS2
SCHEMBL4813962 0.85 KMT2A (0.38) SLC22A12MCL1BADF10F2
SCHEMBL4809607 0.85 SLC22A12 (0.37) SLC22A12F10F2PRSS1PRSS2
SCHEMBL4863979 0.85 SLC22A12 (0.36) SLC22A12MCL1BADF10F2

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-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US claimed
EP-1740538-A4 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-12-19 EP claimed
EP-1740538-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-10 EP claimed
WO-2005099709-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-27 WO 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
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
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 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-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 SLC22A12 4383/4885MCL1 4055/4885BAD 3745/4885

“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.