SCHEMBL6036705

SCHEMBL6036705

CCc1ccc([N+](C)(C)c2c(C)cc(Cl)cc2F)c(CC(N)=O)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ICMT O60725 6/20 0.34
EGFR P00533 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
PDE4B Q07343 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
TNKS2 Q9H2K2 1/20 0.30
P2RX3 P56373 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
SCHEMBL6036592 0.88 ICMT (0.34) ICMTCYP3A4CYP2C19PDE4BSIRT1
SCHEMBL6036177 0.82 ICMT (0.32) ICMT
SCHEMBL6036594 0.76 PTGS2 (0.40) ICMTSIRT1
SCHEMBL6036191 0.75 PTGS2 (0.42) ICMTEGFR
SCHEMBL6036627 0.70 MAOB (0.36) ICMT
SCHEMBL15963655 0.70 CA2 (0.41)
SCHEMBL16371446 0.67 CA2 (0.44)
SCHEMBL32678874 0.66 LMNA (0.44) SIRT1
SCHEMBL32678875 0.66 LMNA (0.44) SIRT1
SCHEMBL32678876 0.66 LMNA (0.44) SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1007505-B1 CERTAIN 5-ALKYL-2-ARYLAMINOPHENYLACETIC ACIDS AND DERIVATIVES NOVARTIS AG (CH) 2003-04-16 EP 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
EP-1007505-A1 CERTAIN 5-ALKYL-2-ARYLAMINOPHENYLACETIC ACIDS AND DERIVATIVES Novartis AG (CH) 2000-06-14 EP disclosed
WO-1999011605-A1 CERTAIN 5-ALKYL-2-ARYLAMINOPHENYLACETIC ACIDS AND DERIVATIVES NOVARTIS AG (CH) 1999-03-11 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-20020013369-A1 Certain 5-alkyl-2arylaminophenylacetic acids and derivatives HCAR2, CYP2F1, CYP2E1 ICMT 3034/4885EGFR 1187/4885CYP3A4 54/4885
US-20040122254-A1 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives CYP2F1, CYP2E1, PTGER1 ICMT 2871/4885EGFR 1181/4885CYP3A4 27/4885
US-20020183391-A1 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives CYP2F1, CYP2E1, PTGER1 ICMT 2871/4885EGFR 1181/4885CYP3A4 27/4885

“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.