SCHEMBL6036593

SCHEMBL6036593

Cc1ccc(Nc2c(F)cc(Cl)cc2Cl)c(CC(=O)OCC(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.65
PTGS1 P23219 3/20 0.59
ABCB11 O95342 1/20 0.59
PPARG P37231 1/20 0.59
NR1I3 Q14994 1/20 0.59
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
TTR P02766 1/20 0.51
CYP2C9 P11712 1/20 0.51
TBXA2R P21731 1/20 0.51
MAPK1 P28482 1/20 0.51
CAMK2A Q9UQM7 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6036412 0.92 PTGS2 (0.59) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL1031420 0.88 PTGS2 (0.83) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL6036435 0.88 KMT2A (0.49) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL6036175 0.88 PTGS2 (0.78) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL6036162 0.84 PTGS2 (0.76) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL13776395 0.81 PTGS2 (0.53) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL6036157 0.80 USP2 (0.49) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL1031441 0.79 PTGS2 (0.74) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL6036173 0.78 PTGS2 (0.52) PTGS2PTGS1ABCB11PPARGNR1I3
SCHEMBL1030170 0.78 PTGS2 (0.73) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007505-B1 CERTAIN 5-ALKYL-2-ARYLAMINOPHENYLACETIC ACIDS AND DERIVATIVES NOVARTIS AG (CH) 2003-04-16 EP claimed
US-7115662-B2 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives NOVARTIS AG (CH) 2006-10-03 US disclosed
US-20040122254-A1 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives NOVARTIS TIERGESUNDHEIT AG (CH) 2004-06-24 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 (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-20020013369-A1 Certain 5-alkyl-2arylaminophenylacetic acids and derivatives HCAR2, CYP2F1, CYP2E1 PTGS2 5/4885PTGS1 4/4885ABCB11 694/4885
US-20040122254-A1 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives CYP2F1, CYP2E1, PTGER1 PTGS2 8/4885PTGS1 5/4885ABCB11 387/4885
US-20020183391-A1 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives CYP2F1, CYP2E1, PTGER1 PTGS2 8/4885PTGS1 5/4885ABCB11 387/4885

“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.