Sugi Predict

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SCHEMBL4815682

SCHEMBL4815682

CCC(c1ccc(C(=O)NCc2cccnc2)cc1-c1ccc(C)cc1C(=O)OCc1ccccc1)c1c[nH]c2cc(C#N)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ BLM P54132 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ ROCK2 O75116 4/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HAT1 O14929 2/20 0.37
▸ EP300 Q09472 2/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL4817909 0.93 CYP1A2 (0.42) CYP1A2CYP3A4L3MBTL1CYP2C19TSHR
SCHEMBL4811283 0.89 EP300 (0.40) L3MBTL1KMT2AALDH1A1HAT1EP300
SCHEMBL4813347 0.89 P2RX3 (0.38) L3MBTL1KMT2AALDH1A1ROCK2ROCK1
SCHEMBL4815145 0.87 EP300 (0.41) L3MBTL1KMT2AALDH1A1HAT1EP300
SCHEMBL4812938 0.87 HAT1 (0.39) L3MBTL1KMT2AALDH1A1LMNAHAT1
SCHEMBL4815699 0.86 PTPRC (0.39) L3MBTL1KMT2AALDH1A1HAT1EP300
SCHEMBL4811272 0.84 HAT1 (0.38) L3MBTL1KMT2AALDH1A1LMNAHAT1
SCHEMBL4815512 0.84 HAT1 (0.35) L3MBTL1KMT2AALDH1A1LMNAHAT1
SCHEMBL4815132 0.83 KMT2A (0.38) L3MBTL1KMT2AALDH1A1HAT1EP300
SCHEMBL4812870 0.82 F2 (0.43) CYP1A2CYP3A4L3MBTL1CYP2C19TSHR

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 5 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
EP-1740538-A4 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-12-19 — — EP disclosed
EP-1740538-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-10 — — EP disclosed
WO-2005099709-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-27 — — WO 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 CYP1A2 910/4885CYP3A4 440/4885L3MBTL1 3118/4885

“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.