SCHEMBL5228626

SCHEMBL5228626

O=C(Cl)Cl.O=C(N[C@@H](CSc1ccccc1)C(=O)CCl)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.56
CASP1 P29466 6/20 0.55
PPARA Q07869 3/20 0.47
PPARG P37231 1/20 0.47
MMP13 P45452 2/20 0.46
CTSK P43235 3/20 0.46
TACR1 P25103 2/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTRB1 P17538 2/20 0.44

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
SCHEMBL7495766 0.98 CA2 (0.58) CA2CASP1PPARAPPARGMMP13
SCHEMBL7495758 0.98 CA2 (0.58) CA2CASP1PPARAPPARGMMP13
SCHEMBL5227527 0.98 CA2 (0.58) CA2CASP1PPARAPPARGMMP13
SCHEMBL5230909 0.86 CASP1 (0.52) CA2CASP1PPARAPPARGMMP13
SCHEMBL1541597 0.85 CASP1 (0.62) CA2CASP1PPARAPPARGMMP13
SCHEMBL4973400 0.85 CASP1 (0.62) CA2CASP1PPARAPPARGMMP13
SCHEMBL6487973 0.85 CASP1 (0.62) CA2CASP1PPARAPPARGMMP13
SCHEMBL7492863 0.84 MTNR1A (0.45) CA2CASP1
SCHEMBL7493194 0.84 MTNR1A (0.45) CA2CASP1
SCHEMBL7492869 0.84 MTNR1A (0.45) CA2CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1340744-B1 Hiv protease inhibitors AGOURON PHARMA (US) 2007-05-23 EP disclosed
EP-0889036-B1 HIV protease inhibitors AGOURON PHARMA (US) 2004-12-29 EP disclosed
US-6693199-B2 DEPROTECTING CARBAMATE GROUP AND AMIDATING IN PRESENCE OF SUCH AS HYDROXYBENZOTRIAZOLE HYDRATE PROMOTER AGOURON PHARMACEUTICALS, INC. 2004-02-17 US disclosed
EP-1340744-A2 Hiv protease inhibitors Agouron Pharmaceuticals, Inc. (US) 2003-09-03 EP disclosed
EP-0722439-B1 HIV PROTEASE INHIBITORS AGOURON PHARMA (US) 2002-08-14 EP disclosed
US-6271235-B1 VIRICIDE AGOURON PHARMACEUTICALS, INC. 2001-08-07 US disclosed
US-6162812-A Pharmaceutical compositions containing HIV protease inhibitors and methods of their use AGOURON PHARMACEUTICALS, INC. (US) 2000-12-19 US disclosed
EP-0763017-B1 N-(3-AMINO-2-HYDROXYBUTYL)SULPHONAMIDE DERIVATIVES AS HIV PROTEASE INHIBITORS AGOURON PHARMA (US) 2000-09-13 EP disclosed
US-5952343-A VIRICIDES; SPECIFICITY; NONTOXIC AGOURON PHARMACEUTICALS, INC. 1999-09-14 US disclosed
EP-0889036-A1 HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. (US) 1999-01-07 EP disclosed
US-5852043-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1998-12-22 US disclosed
US-5846993-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1998-12-08 US disclosed
US-5837710-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1998-11-17 US disclosed
US-5834467-A AIDS TREATMENT; VIRICIDES AGOURON PHARMACEUTICALS, INC. 1998-11-10 US disclosed
US-5827859-A ADMINISTERED TO TREAT AIDS; VIRICIDES AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5827891-A FOR TREATMENT OF AIDS, BLOCKING REPLICATION OF HIV VIRUS AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5827858-A ADMINISTERED TO TREAT AIDS AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5824688-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1998-10-20 US disclosed
US-5527829-A VIRICIDES; TREATING AIDS AGOURON PHARMACEUTICALS, INC. (US) 1996-06-18 US disclosed
US-5484926-A VIRICIDES AND ENZYME INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-01-16 US disclosed