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Sugi Predict / Compounds / SCHEMBL4602858

SCHEMBL4602858

SCHEMBL4602858

CS(=O)(=O)N(CC1(c2ccc(N3CC(CNC(=O)c4ccc(Cl)s4)CC3=O)cc2)CC1)S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.47
▸ F2 P00734 2/20 0.45
▸ ABCB11 O95342 1/20 0.43
▸ ST14 Q9Y5Y6 1/20 0.43

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
SCHEMBL4588148 0.91 F10 (0.51) F10F2ABCB11ST14
SCHEMBL5642046 0.86 F10 (0.46) F10F2ABCB11ST14
SCHEMBL5641745 0.83 F10 (0.56) F10F2ABCB11ST14
SCHEMBL8245918 0.80 F10 (0.55) F10F2ABCB11ST14
SCHEMBL8210599 0.80 F10 (0.55) F10F2ABCB11ST14
SCHEMBL1769426 0.79 F10 (0.67) F10F2ABCB11ST14
SCHEMBL5640630 0.79 F10 (0.51) F10F2ABCB11ST14
SCHEMBL5643223 0.78 F10 (0.49) F10F2ABCB11ST14
SCHEMBL5643229 0.78 F10 (0.49) F10F2ABCB11ST14
SCHEMBL5642234 0.78 F10 (0.47) F10F2ABCB11ST14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667647-A4 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 — — EP disclosed
EP-1667647-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 — — EP disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 — — WO disclosed