SCHEMBL3873443

SCHEMBL3873443

CCc1ccc(Nc2ccc(Cl)c(C)c2F)c(CC(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.49
ABCB11 O95342 2/20 0.49
PTGS1 P23219 2/20 0.49
NR1I3 Q14994 2/20 0.49
PPARG P37231 1/20 0.49
CXCL8 P10145 5/20 0.44
CAMK2A Q9UQM7 2/20 0.44
CYP2C9 P11712 1/20 0.44
CLIC1 O00299 1/20 0.42
CLCN2 P51788 1/20 0.42
AKR1B10 O60218 1/20 0.39
UGT1A9 O60656 1/20 0.39
TRPA1 O75762 1/20 0.39
MT-CO2 P00403 1/20 0.39
TTR P02766 1/20 0.39
ALB P02768 1/20 0.39
UGT1A6 P19224 1/20 0.39
UGT1A1 P22309 1/20 0.39
CXCR1 P25024 1/20 0.39
ADRA1A P35348 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
SCHEMBL3881380 0.95 PTGS2 (0.56) PTGS2ABCB11PTGS1NR1I3PPARG
SCHEMBL5082240 0.91 PTGS2 (0.52) PTGS2ABCB11PTGS1NR1I3PPARG
SCHEMBL3869439 0.89 PTGS2 (0.46) PTGS2ABCB11PTGS1NR1I3PPARG
SCHEMBL3870137 0.89 PTGS2 (0.49) PTGS2ABCB11PTGS1NR1I3PPARG
SCHEMBL3872484 0.87 PTGS2 (0.44) PTGS2ABCB11PTGS1NR1I3PPARG
SCHEMBL4311191 0.87 P2RX7 (0.39) PTGS2ABCB11PTGS1NR1I3PPARG
SCHEMBL10316744 0.87 PTGS2 (0.54) PTGS2ABCB11PTGS1NR1I3PPARG
SCHEMBL3871928 0.86 PTGS2 (0.65) PTGS2ABCB11PTGS1NR1I3PPARG
SCHEMBL3872166 0.85 PTGS2 (0.57) PTGS2ABCB11PTGS1NR1I3PPARG
SCHEMBL27752715 0.85 PTGS2 (0.55) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046723-B1 PHENYLACETIC ACID DERIVATIVES AS COX-2 INHIBITORS NOVARTIS AG (CH) 2012-07-18 EP claimed
US-20090209648-A1 Phenylacetic Acid Derivatives NOVARTIS AG (CH) 2009-08-20 US claimed
US-20140058129-A1 Phenylacetic Acid Derivatives NOVARTIS AG (CH) 2014-02-27 US disclosed
US-8586782-B2 Phenylacetic acid derivatives NOVARTIS AG (CH) 2013-11-19 US disclosed
US-8362294-B2 Phenylacetic acid derivatives NOVARTIS AG (CH) 2013-01-29 US disclosed
US-20130012585-A1 Phenylacetic Acid Derivatives MONOVICH LAUREN G (US) 2013-01-10 US disclosed
EP-2046723-B1 PHENYLACETIC ACID DERIVATIVES AS COX-2 INHIBITORS NOVARTIS AG (CH) 2012-07-18 EP disclosed
US-20090209648-A1 Phenylacetic Acid Derivatives NOVARTIS AG (CH) 2009-08-20 US disclosed
CN-101479231-A Phenylacetic acid derivatives as COX-2 inhibitors NOVARTIS AG (CH) 2009-07-08 CN disclosed
EP-2046723-A2 PHENYLACETIC ACID DERIVATIVES AS COX-2 INHIBITORS Novartis AG (CH) 2009-04-15 EP disclosed
EP-2014284-A1 Pharmaceutical compositions and uses Novartis AG (CH) 2009-01-14 EP disclosed
WO-2008002853-A2 PHENYLACETIC ACID DERIVATIVES AS COX-2 INHIBITORS NOVARTIS AG (CH) 2008-01-03 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 (3 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-20140058129-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, GOT2 PTGS2 2/4885ABCB11 211/4885PTGS1 8/4885
US-20130012585-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, GOT2 PTGS2 2/4885ABCB11 211/4885PTGS1 8/4885
US-20090209648-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, PTGER2 PTGS2 2/4885ABCB11 217/4885PTGS1 8/4885

“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.