SCHEMBL1032830

SCHEMBL1032830

CCc1ccc(Nc2c(C)cc(F)cc2Cl)c(CC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.54
ABCB11 O95342 2/20 0.52
PTGS1 P23219 2/20 0.52
NR1I3 Q14994 2/20 0.52
PPARG P37231 1/20 0.52
CAMK2A Q9UQM7 3/20 0.47
CXCL8 P10145 2/20 0.45
CLIC1 O00299 1/20 0.45
CLCN2 P51788 1/20 0.45
TTR P02766 2/20 0.41
AKR1B10 O60218 1/20 0.41
UGT1A9 O60656 1/20 0.41
TRPA1 O75762 1/20 0.41
MT-CO2 P00403 1/20 0.41
ALB P02768 1/20 0.41
UGT1A6 P19224 1/20 0.41
UGT1A1 P22309 1/20 0.41
CXCR1 P25024 1/20 0.41
ADRA1A P35348 1/20 0.41
AGTR2 P50052 1/20 0.41

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
SCHEMBL1032030 0.90 PTGS2 (0.56) PTGS2ABCB11PTGS1NR1I3PPARG
SCHEMBL1030644 0.88 PTGS2 (0.49) PTGS2ABCB11PTGS1NR1I3PPARG
SCHEMBL29398972 0.88 PTGS2 (0.66) PTGS2ABCB11PTGS1NR1I3PPARG
SCHEMBL1030956 0.88 PTGS2 (0.66) PTGS2ABCB11PTGS1NR1I3PPARG
SCHEMBL1033041 0.87 PTGS2 (0.71) PTGS2ABCB11PTGS1NR1I3PPARG
SCHEMBL27752715 0.84 PTGS2 (0.55) PTGS2ABCB11PTGS1NR1I3PPARG
SCHEMBL1028714 0.84 PTGS2 (0.54) PTGS2ABCB11PTGS1NR1I3PPARG
SCHEMBL1031824 0.84 PTGS2 (0.76) PTGS2ABCB11PTGS1NR1I3PPARG
Robenacoxib SCHEMBL6061086 0.83 PTGS2 (0.59) PTGS2ABCB11PTGS1NR1I3PPARG
SCHEMBL1032831 0.83 PTGS2 (0.61) PTGS2ABCB11PTGS1NR1I3PPARG

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906677-B2 Process for phenylacetic acid derivatives NOVARTIS AG (CH) 2011-03-15 US claimed
US-20090275758-A1 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2009-11-05 US claimed
EP-1216226-B1 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2009-11-04 EP claimed
US-20080249318-A1 Process for phenylacetic acid derivatives ACEMOGLU MURAT 2008-10-09 US claimed
EP-1007505-B1 CERTAIN 5-ALKYL-2-ARYLAMINOPHENYLACETIC ACIDS AND DERIVATIVES NOVARTIS AG (CH) 2003-04-16 EP claimed
JP-2003510303-A 2003-03-18 JP claimed
EP-1216226-A2 PROCESS FOR PHENYLACETIC ACID DERIVATIVES Novartis AG (CH) 2002-06-26 EP claimed
WO-2001023346-A2 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2001-04-05 WO claimed
US-7906677-B2 Process for phenylacetic acid derivatives NOVARTIS AG (CH) 2011-03-15 US disclosed
EP-2275403-A1 Process for phenylacetic acid derivatives Novartis AG (CH) 2011-01-19 EP disclosed
US-20090275758-A1 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2009-11-05 US disclosed
EP-1216226-B1 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2009-11-04 EP disclosed
US-20080249318-A1 Process for phenylacetic acid derivatives ACEMOGLU MURAT 2008-10-09 US disclosed
US-7115662-B2 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives NOVARTIS AG (CH) 2006-10-03 US disclosed
US-6310099-B1 5-METHYL OR ETHYL-2-(2-'CHLORO OR FLUORO OR TRIFLUROMETHYL-6'FLUORO OR CHLOROANILINO) PHENYLACETIC ACID OR SALT IS USED AS COX-2 SELECTIVE CYCLOOXYGENASE INHIBITOR NOVARTIS AG (CH) 2001-10-30 US disclosed
US-6291523-B1 SELECTIVE COX-2 CYCLOOXYGENASE INHIBITORS NOVARTIS AG (CH) 2001-09-18 US disclosed
WO-2001023346-A2 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2001-04-05 WO disclosed
EP-0830445-A4 DETERGENT COMPOSITIONS PROCTER & GAMBLE (US) 2000-03-22 EP disclosed
EP-0830445-A1 DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-03-25 EP disclosed
WO-1996041857-A1 DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-12-27 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-20080249318-A1 Process for phenylacetic acid derivatives ALDH7A1, CYP4F11, CYP2A6 PTGS2 73/4885ABCB11 296/4885PTGS1 24/4885
US-20090275758-A1 PROCESS FOR PHENYLACETIC ACID DERIVATIVES ALDH7A1, CYP4F11, CYP2A6 PTGS2 73/4885ABCB11 296/4885PTGS1 24/4885

“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.