SCHEMBL5963814

SCHEMBL5963814

CC(C)/C=C/C[C@@H](Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
CYP1A2 P05177 1/20 0.42
MME P08473 4/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
TRPA1 O75762 1/20 0.41
CPA1 P15085 1/20 0.41
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ACE P12821 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL6790718 0.87 GRIK1 (0.45) GRIK1GRIK2CYP1A2MMEPPARG
SCHEMBL6791072 0.86 CYP1A2 (0.59) CYP1A2MMECPA1
SCHEMBL6789903 0.85 PPARA (0.51) GRIK1GRIK2PPARGPPARA
SCHEMBL7384829 0.79 CYP1A2 (0.65) CYP1A2MMEPPARGPPARACPA1
SCHEMBL6791884 0.77 CPA1 (0.43) GRIK1GRIK2CYP1A2MMEPPARG
SCHEMBL5378074 0.76 CYP1A2 (0.57) CYP1A2PPARGPPARACPA1
SCHEMBL12493679 0.76 CYP1A2 (0.55) CYP1A2MMEPPARGPPARACPA1
SCHEMBL16798335 0.74 MME (0.57) CYP1A2MMEPPARGPPARATRPA1
SCHEMBL28181738 0.74 CYP1A2 (0.77) CYP1A2MMEPPARGPPARACPA1
SCHEMBL29865172 0.73 PPARA (0.56) CYP1A2PPARGPPARACPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060046966-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2006-03-02 US disclosed
US-6995142-B2 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2006-02-07 US disclosed
EP-1329457-B1 Antipicornaviral compounds, their preparation and use AGOURON PHARMA (US) 2005-11-02 EP disclosed
US-6906198-B1 Antipicornaviral compounds, their preparation and use AGOURON PHARMACEUTICALS, INC. (US) 2005-06-14 US disclosed
US-20040072907-A1 Antipicornaviral compounds, compositions containing them, and methods for their use PETER DRAGOVICH S (US) 2004-04-15 US disclosed
US-6649639-B2 Inhibit or block the biological activity of the picornaviral 3C protease. DRAGOVICH PETER S (US) 2003-11-18 US disclosed
EP-0975588-B1 ANTIPICORNAVIRAL COMPOUDS, COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR USE AGOURON PHARMA (US) 2003-09-03 EP disclosed
EP-1329457-A2 Antipicornaviral compounds, their preparation and use AGOURON PHARMACEUTICALS, INC. (US) 2003-07-23 EP disclosed
US-20030130204-A1 Antipicornaviral compounds and compositons, their pharmaceutical uses, and materials for their synthesis DRAGOVICH PETER SCOTT (US) 2003-07-10 US disclosed
US-6531452-B1 Peptide-like and peptidomimetic compounds that inhibit enzymatic activity of picornaviral 3C proteases and inhibit picornavirus replication AGOURON PHARMACEUTICALS, INC. 2003-03-11 US disclosed
US-20020032237-A1 Antipicornaviral compounds, compositions containing them, and methods for their use DRAGOVICH PETER S (US) 2002-03-14 US disclosed
US-6331554-B1 PICORNAVIRUS PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2001-12-18 US disclosed
EP-1073672-A1 ANTIPICORNAVIRAL COMPOUNDS, THEIR PREPARATION AND USE AGOURON PHARMACEUTICALS, INC. (US) 2001-02-07 EP disclosed
EP-0975588-A1 ANTIPICORNAVIRAL COMPOUDS, COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2000-02-02 EP disclosed
US-6020371-A VIRICIDES; PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 2000-02-01 US disclosed
WO-1999057135-A1 ANTIPICORNAVIRAL COMPOUNDS, THEIR PREPARATION AND USE AGOURON PHARMACEUTICALS, INC. (US) 1999-11-11 WO disclosed
WO-1998043950-A1 ANTIPICORNAVIRAL COMPOUDS, COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 1998-10-08 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 (4 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-20020032237-A1 Antipicornaviral compounds, compositions containing them, and methods for their use RNASEL, RNASE1, GTF3C3 GRIK1 3932/4885GRIK2 4225/4885CYP1A2 2658/4885
US-20040072907-A1 Antipicornaviral compounds, compositions containing them, and methods for their use PCNA, ZC3HAV1, POLR1C GRIK1 3525/4885GRIK2 4032/4885CYP1A2 4849/4885
US-20060046966-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis PRCP, RNPEP, SARNP GRIK1 4191/4885GRIK2 4283/4885CYP1A2 2856/4885
US-20030130204-A1 Antipicornaviral compounds and compositons, their pharmaceutical uses, and materials for their synthesis SARNP, RNASE1, SERPINA3 GRIK1 3949/4885GRIK2 4226/4885CYP1A2 3050/4885

“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.