SCHEMBL4318792

SCHEMBL4318792

C=Cc1ccc(Nc2ccc(C)cc2CC(=O)N(C)C)c(F)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.37
PTGS1 P23219 2/20 0.36
ABCB11 O95342 1/20 0.36
PPARG P37231 1/20 0.36
NR1I3 Q14994 1/20 0.36
KDM4E B2RXH2 1/20 0.30
MAPK3 P27361 1/20 0.30

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
SCHEMBL3874288 0.89 PTGS2 (0.48) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL4321256 0.86 PTGS2 (0.40) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL4308029 0.85 PTGS2 (0.39) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL4325069 0.84 PTGS2 (0.39) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL4312746 0.76 PTGS2 (0.49) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL4312100 0.75 CYP2C9 (0.34)
SCHEMBL3869145 0.74 PTGS2 (0.53) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL3870142 0.73 PTGS2 (0.52) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL4311949 0.72 PTGS2 (0.46) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL3869939 0.72 PTGS2 (0.51) PTGS2PTGS1ABCB11PPARGNR1I3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2/4885PTGS1 8/4885ABCB11 211/4885
US-20130012585-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, GOT2 PTGS2 2/4885PTGS1 8/4885ABCB11 211/4885
US-20090209648-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, PTGER2 PTGS2 2/4885PTGS1 8/4885ABCB11 217/4885

“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.