SCHEMBL4809835

SCHEMBL4809835

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.45
NR4A2 P43354 3/20 0.43
HAT1 O14929 7/20 0.38
EP300 Q09472 7/20 0.38
GUSB P08236 2/20 0.38
ALK Q9UM73 1/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SNCA P37840 1/20 0.35
CDK2 P24941 2/20 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
SCHEMBL4810138 0.91 NR4A2 (0.40) SPRNR4A2HAT1EP300GUSB
SCHEMBL4814049 0.85 HAT1 (0.36) NR4A2HAT1EP300MAPTSNCA
SCHEMBL4812938 0.82 HAT1 (0.39) HAT1EP300ALKMEN1ALDH1A1
SCHEMBL4812575 0.82 HAT1 (0.38) HAT1EP300GUSBMEN1ALDH1A1
SCHEMBL4813713 0.80 NPC1 (0.41) SPRHAT1EP300GUSBALK
SCHEMBL4810979 0.80 MAPT (0.39) SPRHAT1EP300GUSBALK
SCHEMBL5174172 0.78 GUSB (0.40) NR4A2HAT1EP300GUSBMEN1
SCHEMBL4813758 0.78 SPR (0.43) SPRHAT1EP300GUSBALK
SCHEMBL4805306 0.76 MEN1 (0.38) HAT1EP300GUSBMEN1ALDH1A1
SCHEMBL4805315 0.76 EP300 (0.38) HAT1EP300MEN1ALDH1A1MAPT

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 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 SPR 992/4885NR4A2 3260/4885HAT1 969/4885

“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.