Sugi Predict

Sugi Predict / Compounds / SCHEMBL7640332

SCHEMBL7640332

SCHEMBL7640332

COC(=O)CN1CCN(CC2CN(c3ccc(C(=N)NS(C)(=O)=O)cc3)C(=O)O2)CC1.CS(=O)(=O)NC(=N)c1ccc(N2CC(COS(C)(=O)=O)OC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.52
▸ ITGA2B P08514 1/20 0.52
▸ SIGMAR1 Q99720 17/20 0.42
▸ GRM2 Q14416 1/20 0.40

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
SCHEMBL6600545 0.94 ITGB3 (0.57) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7639810 0.92 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7639710 0.92 ITGB3 (0.52) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7638997 0.90 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7642335 0.88 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7632119 0.88 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7637118 0.87 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6601350 0.87 GRM2 (0.45) ITGB3ITGA2BGRM2
SCHEMBL7639806 0.86 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7638928 0.86 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455529-B1 OXAZOLIDIN-2-ONE DERIVATIVES; ANTICOAGULANTS; ANTIMETASTASIS, ANTICARCINOGENIC, ANTIISCHEMIC, AND ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS, ARTERIOSCLEROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-09-24 — — US disclosed