SCHEMBL5226937

SCHEMBL5226937

O=C(N[C@@H](CSc1ccc2ccccc2c1)C(=O)O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.55
PPARG P37231 1/20 0.55
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
CASP1 P29466 3/20 0.53
TGM2 P21980 1/20 0.50
CA2 P00918 1/20 0.48
ITGB3 P05106 4/20 0.47
ITGA2B P08514 4/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
MMP13 P45452 2/20 0.46
F2 P00734 1/20 0.46
CTSK P43235 1/20 0.46
TACR1 P25103 1/20 0.46

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
SCHEMBL5230909 0.89 CASP1 (0.52) PPARAPPARGCTSLCTSBCTSS
SCHEMBL4973400 0.87 CASP1 (0.62) PPARAPPARGCTSLCTSBCTSS
SCHEMBL6487973 0.87 CASP1 (0.62) PPARAPPARGCTSLCTSBCTSS
SCHEMBL1541597 0.87 CASP1 (0.62) PPARAPPARGCTSLCTSBCTSS
SCHEMBL7810068 0.86 CASP1 (0.61) PPARAPPARGCTSLCTSBCTSS
SCHEMBL7810073 0.86 CASP1 (0.61) PPARAPPARGCTSLCTSBCTSS
SCHEMBL7309215 0.86 PPARA (0.55) PPARAPPARGCTSSCASP1CA2
SCHEMBL7309224 0.86 PPARA (0.55) PPARAPPARGCTSSCASP1CA2
SCHEMBL6654073 0.83 CYP3A4 (0.54) PPARAPPARGCTSLCTSBCTSS
SCHEMBL18623602 0.81 CTSB (0.72) CTSLCTSBCTSSCASP1TGM2

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 42 patents — showing the first 20. 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
US-20030216569-A1 Method of making HIV protease inhibitors DRESSMAN BRUCE A (US) 2003-11-20 US disclosed
EP-1340744-A2 Hiv protease inhibitors Agouron Pharmaceuticals, Inc. (US) 2003-09-03 EP disclosed
US-6525215-B2 As antiviral agents suitable for therapy of patients or hosts infected with the HIV virus, which is known to cause AIDS AGOURON PHARMACEUTICALS, INC. 2003-02-25 US disclosed
EP-0722439-B1 HIV PROTEASE INHIBITORS AGOURON PHARMA (US) 2002-08-14 EP disclosed
US-20020077338-A1 HIV protease inhibitors DRESSMAN BRUCE A (US) 2002-06-20 US 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
US-5484926-A VIRICIDES AND ENZYME INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-01-16 US disclosed
US-5475136-A Inhibitors of HIV protease useful for the treatment of AIDS ELI LILLY AND COMPANY (US) 1995-12-12 US disclosed
WO-1995032185-A1 N-(3-AMINO-2-HYDROXYBUTYL)SULPHONAMIDE DERIVATIVES AS HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1995-11-30 WO disclosed
US-5461154-A HIV protease inhibitors ELI LILLY AND COMPANY (US) 1995-10-24 US disclosed
WO-1995021164-A1 INTERMEDIATE AND PROCESS FOR MAKING ELI LILLY AND COMPANY (US) 1995-08-10 WO disclosed
US-5434265-A Inhibitors of HIV protease ELI LILLY AND COMPANY (US) 1995-07-18 US disclosed
WO-1995009843-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1995-04-13 WO disclosed
EP-0609625-A1 Inhibitors of HIV protease useful for the treatment of AIDS ELI LILLY AND COMPANY (US) 1994-08-10 EP disclosed
EP-0604185-A1 Inhibitors of HIV protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1994-06-29 EP disclosed
EP-0604183-A1 Inhibitors of HIV protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1994-06-29 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020077338-A1 HIV protease inhibitors PREP, PRSS1, SERPINB1 PPARA 4380/4885PPARG 4600/4885CTSL 29/4885
US-20030216569-A1 Method of making HIV protease inhibitors SERPINB1, PRSS1, PREP PPARA 4822/4885PPARG 4837/4885CTSL 37/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.