Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7501833

CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1.O=C(Nc1ccc(Cl)c(S(=O)(=O)NCC2CCNCC2)c1O)Nc1cccc(Cl)c1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 14/20 0.46
TGFBR1 P36897 6/20 0.41

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
SCHEMBL4586043 0.85 CXCR2 (0.56) CXCR2TGFBR1
Trifluoroacetic Acid SCHEMBL4587172 0.83 CXCR2 (0.64) CXCR2
SCHEMBL6563484 0.80 STS (0.51) TGFBR1
SCHEMBL6565706 0.78 TGFBR1 (0.51) TGFBR1
SCHEMBL6564860 0.78 CXCR2 (0.72) CXCR2
Trifluoroacetic Acid SCHEMBL7548881 0.78 CXCR2 (0.49) CXCR2
SCHEMBL4587255 0.77 TGFBR1 (0.52) CXCR2TGFBR1
SCHEMBL4587779 0.73 CXCR2 (0.64) CXCR2
SCHEMBL5438708 0.72 CXCR2 (0.72) CXCR2
SCHEMBL6566637 0.72 CXCR2 (0.58) CXCR2

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-1161232-A4 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-09-18 EP disclosed
EP-1161232-A1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2001-12-12 EP disclosed
WO-2000035442-A1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-06-22 WO disclosed