SCHEMBL1030644

SCHEMBL1030644

CCc1ccc(Nc2c(C)cc(F)cc2F)c(CC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.49
ABCB11 O95342 1/20 0.48
PTGS1 P23219 1/20 0.48
PPARG P37231 1/20 0.48
NR1I3 Q14994 1/20 0.48
CAMK2A Q9UQM7 1/20 0.41
GAA P10253 1/20 0.39
CXCL8 P10145 2/20 0.39
CLIC1 O00299 1/20 0.39
CLCN2 P51788 1/20 0.39
METAP2 P50579 1/20 0.37

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
SCHEMBL1028714 0.88 PTGS2 (0.54) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL1032830 0.88 PTGS2 (0.54) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL1032030 0.87 PTGS2 (0.56) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL21650216 0.83 PTGS2 (0.49) PTGS2ABCB11PTGS1PPARGNR1I3
Robenacoxib SCHEMBL31121793 0.83 PTGS2 (0.50) PTGS2ABCB11PTGS1PPARGNR1I3
Robenacoxib SCHEMBL6036596 0.83 PTGS2 (0.50) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL1034053 0.81 PTGS2 (0.52) PTGS2ABCB11PTGS1PPARGNR1I3
Robenacoxib SCHEMBL6061086 0.81 PTGS2 (0.59) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL1032831 0.80 PTGS2 (0.61) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL27752715 0.79 PTGS2 (0.55) 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 21 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-6727281-B2 SELECTIVE CYCLOOXYGENASE-2(COX-2) INHIBITORS NOVARTIS AG (CH) 2004-04-27 US disclosed
US-20020183391-A1 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives NOVARTIS TIERGESUNDHEIT AG (CH) 2002-12-05 US disclosed
US-6451858-B2 FOR THERAPY OF INFLAMMATION, PYRESIS, PAIN, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, MIGRAINE HEADACHE, CANCER, MELANOMA, MULTIPLE SCLEROSIS, ALZHEIMER'S DISEASE, OSTEOPOROSIS, ASTHMA, LUPUS AND PSORIASIS; SIDE EFFECT REDUCTION NOVARTIS AG (CH) 2002-09-17 US disclosed
US-20020013369-A1 Certain 5-alkyl-2arylaminophenylacetic acids and derivatives NOVARTIS TIERGESUNDHEIT AG (CH) 2002-01-31 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20020013369-A1 Certain 5-alkyl-2arylaminophenylacetic acids and derivatives HCAR2, CYP2F1, CYP2E1 PTGS2 5/4885ABCB11 694/4885PTGS1 4/4885
US-20080249318-A1 Process for phenylacetic acid derivatives ALDH7A1, CYP4F11, CYP2A6 PTGS2 73/4885ABCB11 296/4885PTGS1 24/4885
US-20020183391-A1 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives CYP2F1, CYP2E1, PTGER1 PTGS2 8/4885ABCB11 387/4885PTGS1 5/4885
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.