Sugi Predict

Sugi Predict / Compounds / SCHEMBL7982808

SCHEMBL7982808

SCHEMBL7982808

Cc1cc(-c2ccccc2)cc(C)c1S(=O)(=O)NC(CNC(=O)c1ccc2c(cnn2CCCNc2ncc[nH]2)c1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 1.00
▸ ITGAV P06756 20/20 1.00
▸ ITGA2B P08514 19/20 1.00

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
Trifluoroacetic Acid SCHEMBL7980476 0.96 ITGB3 (0.93) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7980483 0.96 ITGB3 (0.93) ITGB3ITGAVITGA2B
SCHEMBL30856549 0.94 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7969198 0.94 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7969271 0.94 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL4194099 0.94 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7982778 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL3743175 0.90 ITGB3 (0.92) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL3743186 0.90 ITGB3 (0.92) ITGB3ITGAVITGA2B
SCHEMBL14289059 0.90 ITGB3 (0.84) ITGB3ITGAVITGA2B

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-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 — — US claimed
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 — — US disclosed