SCHEMBL3869145

SCHEMBL3869145

Cc1ccc(Nc2ccc(C)c(C(F)(F)F)c2F)c(CC(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.53
ABCB11 O95342 1/20 0.52
PTGS1 P23219 1/20 0.52
PPARG P37231 1/20 0.52
NR1I3 Q14994 1/20 0.52
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
CXCL8 P10145 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
SRC P12931 1/20 0.38
CLIC1 O00299 1/20 0.37
CLCN2 P51788 1/20 0.37
CAMK2A Q9UQM7 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL27773589 0.90 PTGS2 (0.53) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL3870142 0.89 PTGS2 (0.52) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL3869939 0.88 PTGS2 (0.51) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL3870953 0.87 PTGS2 (0.40) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL4321256 0.87 PTGS2 (0.40) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL3874288 0.85 PTGS2 (0.48) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL3871928 0.79 PTGS2 (0.65) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL3873191 0.78 PTGS2 (0.40) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL27773596 0.78 PTGS2 (0.40) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL3881581 0.77 PTGS2 (0.47) PTGS2ABCB11PTGS1PPARGNR1I3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209648-A1 Phenylacetic Acid Derivatives NOVARTIS AG (CH) 2009-08-20 US claimed
CN-101479231-A Phenylacetic acid derivatives as COX-2 inhibitors NOVARTIS AG (CH) 2009-07-08 CN 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-2008156645-A2 PHARMACEUTICAL COMPOSITIONS AND USES NOVARTIS AG (CH) 2008-12-24 WO 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.