SCHEMBL6036587

SCHEMBL6036587

CCc1ccc(Nc2c(Cl)cccc2Cl)c(CC(=O)OCC(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.69
CYP2C9 P11712 2/20 0.69
USP2 O75604 1/20 0.69
LMNA P02545 1/20 0.69
TBXA2R P21731 1/20 0.69
MAPK1 P28482 1/20 0.69
KMT2A Q03164 1/20 0.69
PTGS2 P35354 8/20 0.56
CAMK2A Q9UQM7 3/20 0.55
PTGS1 P23219 3/20 0.49
ABCB11 O95342 2/20 0.49
NR1I3 Q14994 2/20 0.49
AKR1B10 O60218 1/20 0.49
UGT1A9 O60656 1/20 0.49
TRPA1 O75762 1/20 0.49
MT-CO2 P00403 1/20 0.49
ALB P02768 1/20 0.49
CXCL8 P10145 1/20 0.49
UGT1A6 P19224 1/20 0.49
UGT1A1 P22309 1/20 0.49

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
SCHEMBL7122864 0.94 TTR (0.61) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL6036194 0.93 TTR (0.60) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL6036623 0.87 PTGS2 (0.72) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL6036162 0.86 PTGS2 (0.76) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL23691079 0.86 TTR (0.76) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL6036173 0.85 PTGS2 (0.52) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL6036435 0.84 KMT2A (0.49) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL6036157 0.84 USP2 (0.49) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL6036430 0.82 USP2 (0.46) TTRCYP2C9USP2LMNATBXA2R
Aceclofenac SCHEMBL25734 0.82 TTR (1.00) TTRCYP2C9USP2LMNATBXA2R

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 TTR 4065/4885CYP2C9 37/4885USP2 1083/4885
US-20040122254-A1 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives CYP2F1, CYP2E1, PTGER1 TTR 3750/4885CYP2C9 21/4885USP2 1364/4885
US-20020183391-A1 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives CYP2F1, CYP2E1, PTGER1 TTR 3750/4885CYP2C9 21/4885USP2 1364/4885

“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.