SCHEMBL5224771

SCHEMBL5224771

CC(=O)c1c(O)ccc(C(=O)O)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
CSNK2A1 P68400 1/20 0.47
SELL P14151 1/20 0.47
SELP P16109 1/20 0.47
MYC P01106 2/20 0.42
MCL1 Q07820 3/20 0.42
CA9 Q16790 4/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA14 Q9ULX7 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
TSHR P16473 1/20 0.41
PRKCI P41743 1/20 0.41
KLKB1 P03952 1/20 0.40
CTSB P07858 1/20 0.40
ELANE P08246 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
SCHEMBL7147157 0.88 SELL (0.50) THRBCSNK2A1SELLSELPMYC
SCHEMBL7308758 0.82 CSNK2A1 (0.46) THRBCSNK2A1SELLSELPMYC
SCHEMBL7861237 0.82 HAAO (0.41) THRBMYCMCL1ALDH1A1PTGS2
SCHEMBL2990397 0.81 THRB (0.58) THRBCA9CA12CA1CA2
SCHEMBL29282585 0.79 AKR1C3 (0.50) CSNK2A1SELLSELPCA9CA12
SCHEMBL21408388 0.79 CA12 (0.55) CSNK2A1SELLSELPMYCMCL1
SCHEMBL27663539 0.79 CYP1A2 (0.42) CSNK2A1MYCALDH1A1TSHRCYP1A2
SCHEMBL317575 0.79 SELL (0.54) THRBCSNK2A1SELLSELPMYC
SCHEMBL30443442 0.79 SELL (0.54) THRBCSNK2A1SELLSELPMYC
SCHEMBL30589153 0.77 SELL (0.64) THRBCSNK2A1SELLSELPMYC

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 25 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
CN-1195737-C HIV proteinase inhibitor AGOURON PHARMA (US) 2005-04-06 CN disclosed
EP-0889036-B1 HIV protease inhibitors AGOURON PHARMA (US) 2004-12-29 EP 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
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
CN-1262272-A HIV proteinase inhibitor AGOURON PHARMA (US) 2000-08-09 CN 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-5827858-A ADMINISTERED TO TREAT AIDS 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-5824688-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1998-10-20 US disclosed
CN-1131942-A HIV protease inhibitors AGOURON PHARMACEUTICALS INS (US) 1996-09-25 CN disclosed
EP-0722439-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-07-24 EP disclosed
US-5484926-A VIRICIDES AND ENZYME INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-01-16 US disclosed
WO-1995009843-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1995-04-13 WO 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 THRB 4718/4885CSNK2A1 3866/4885SELL 4369/4885
US-20030216569-A1 Method of making HIV protease inhibitors SERPINB1, PRSS1, PREP THRB 4715/4885CSNK2A1 3620/4885SELL 4437/4885

“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.