SCHEMBL2852282

SCHEMBL2852282

C[C@H](C(=O)O)c1ccc(N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.61
PTGS1 P23219 8/20 0.57
AKR1C3 P42330 7/20 0.57
AKR1C2 P52895 6/20 0.57
CYP2C9 P11712 4/20 0.57
LMNA P02545 3/20 0.57
CXCR1 P25024 2/20 0.57
CXCR2 P25025 2/20 0.57
SLC22A6 Q4U2R8 2/20 0.57
TSHR P16473 2/20 0.57
ALB P02768 1/20 0.57
ESR1 P03372 1/20 0.57
ALOX5 P09917 1/20 0.57
RARB P10826 1/20 0.57
ADRB3 P13945 1/20 0.57
NFKB1 P19838 1/20 0.57
HTR2A P28223 1/20 0.57
NR1I3 Q14994 1/20 0.57
CXCL8 P10145 1/20 0.57
BLM P54132 1/20 0.57

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
SCHEMBL2818028 1.00 PTGS2 (0.61) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL480331 1.00 PTGS2 (0.61) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
Carbamic Acid SCHEMBL9949842 0.96 PTGS2 (0.57) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
Nitric Acid SCHEMBL28366794 0.89 PTGS2 (0.50) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL59197 0.88 PTGS2 (0.74) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL13992556 0.86 PTGS2 (0.45) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL6551674 0.86 PTGS2 (0.65) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL4651605 0.86 PTGS2 (0.65) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL27513027 0.84 EPHX1 (0.42) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL14511593 0.83 PTGS2 (0.42) PTGS2PTGS1AKR1C3AKR1C2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346841-B1 2-ARYL-PROPIONIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ S P A (IT) 2015-01-14 EP disclosed
US-8624036-B2 2-aryl-propionic acids and derivatives and pharmaceutical compositions containing them DOMPE S.P.A. (IT) 2014-01-07 US disclosed
WO-2010031835-A2 2-ARYL-PROPIONIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' S.P.A. (IT) 2010-03-25 WO disclosed
EP-2166006-A1 2-aryl-propionic acids and derivatives and pharmaceutical compositions containing them Dompe' S.P.A. (IT) 2010-03-24 EP disclosed
EP-2166006-A1 2-aryl-propionic acids and derivatives and pharmaceutical compositions containing them Dompe' S.P.A. (IT) 2010-03-24 EP disclosed
CN-1286835-C Phenylacetamido-thiazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA SPA (IT) 2006-11-29 CN disclosed
EP-1724270-A2 Phenylacetamido-thiazole derivatives, process for their preparation and their use as antitumor agents Pfizer Italia S.r.l. (IT) 2006-11-22 EP disclosed
EP-1406899-B1 PHENYLACETAMIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2006-11-15 EP disclosed
US-20040235919-A1 Phenylacetamido-thiazole derivatives, process for the preparation and their use as antitumor agents PFIZER ITALIA S.R.I. (IT) 2004-11-25 US disclosed
CN-1531535-A Phenylacetamido-thiazole derivatives, process for their preparation and their use as antitumor agents 2004-09-22 CN disclosed
EP-1406899-A2 PHENYLACETAMIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2004-04-14 EP disclosed
US-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents PHARMACIA ITALIA SPA (IT) 2004-01-29 US disclosed
EP-1345909-A1 PHENYLACETAMIDO-PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-09-24 EP disclosed
WO-2003008365-A2 PHENYLACETAMIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2003-01-30 WO disclosed
US-6455559-B1 Phenylacetamido-pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2002-09-24 US disclosed
WO-2002048114-A1 PHENYLACETAMIDO- PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2002-06-20 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-20040235919-A1 Phenylacetamido-thiazole derivatives, process for the preparation and their use as antitumor agents CDK2, CDK1, CDKN1A PTGS2 2059/4885PTGS1 1189/4885AKR1C3 833/4885
US-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents DCK, CCNK, CDK2 PTGS2 2574/4885PTGS1 1950/4885AKR1C3 1426/4885

“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.