Sugi Predict

Sugi Predict / Compounds / SCHEMBL4812938

SCHEMBL4812938

SCHEMBL4812938

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HAT1 O14929 11/20 0.39
▸ EP300 Q09472 11/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALK Q9UM73 1/20 0.34
▸ PTGER1 P34995 1/20 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
SCHEMBL4815512 0.92 HAT1 (0.35) HAT1EP300MAPTALDH1A1NPC1
SCHEMBL4811272 0.92 HAT1 (0.38) HAT1EP300MAPTALDH1A1NPC1
SCHEMBL4812575 0.92 HAT1 (0.38) HAT1EP300MAPTALDH1A1NPC1
SCHEMBL4811283 0.91 EP300 (0.40) HAT1EP300MAPTALDH1A1MEN1
SCHEMBL4815145 0.89 EP300 (0.41) HAT1EP300MAPTALDH1A1MEN1
SCHEMBL4815132 0.89 KMT2A (0.38) HAT1EP300MAPTALDH1A1MEN1
SCHEMBL4815689 0.88 HAT1 (0.36) HAT1EP300MAPTALDH1A1MEN1
SCHEMBL4815699 0.88 PTPRC (0.39) HAT1EP300MAPTALDH1A1MEN1
SCHEMBL4815682 0.87 CYP1A2 (0.41) HAT1EP300MAPTALDH1A1LMNA
SCHEMBL5248377 0.87 MRGPRX4 (0.36) HAT1EP300MRGPRX4MAPTALDH1A1

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 HAT1 969/4885EP300 3029/4885MRGPRX4 265/4885

“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.