SCHEMBL6036617

SCHEMBL6036617

Cc1ccc(I)c(CC(=O)Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.40
SRC P12931 2/20 0.38
GSK3B P49841 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 1/20 0.35
SETDB1 Q15047 1/20 0.35
AMY1A P0DUB6 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
ABCB11 O95342 1/20 0.33
PTGS1 P23219 1/20 0.33
PPARG P37231 1/20 0.33
NR1I3 Q14994 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL6036182 0.83 SRC (0.54) PTGS2SRCSMN1; SMN2MAPTALOX15
SCHEMBL37438 0.81 TAAR1 (0.47) PTGS2SRCSMN1; SMN2ALDH1A1HTT
SCHEMBL29606577 0.81 TAAR1 (0.47) PTGS2SRCSMN1; SMN2ALDH1A1HTT
SCHEMBL27681376 0.79 FFAR1 (0.45) PTGS2SRCGSK3BSMN1; SMN2MAPT
SCHEMBL3823395 0.79 PCNA (0.43) PTGS2SRCSMN1; SMN2MAPTALOX15
SCHEMBL6036168 0.79 AKT1 (0.38) SMN1; SMN2MAPTALOX15ALDH1A1HTT
SCHEMBL3826988 0.78 PTGDR2 (0.36) GSK3BSMN1; SMN2ALOX15SETDB1ALDH1A1
SCHEMBL7307333 0.77 HSD17B10 (0.49) ALDH1A1PTGS1MEN1KMT2ANPC1
SCHEMBL2530247 0.77 P2RX7 (0.44) SRCGSK3BSMN1; SMN2ALDH1A1HTT
SCHEMBL8059930 0.76 MAPT (0.39) PTGS2SRCSMN1; SMN2MAPTSETDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791816-B1 IODINE-PHENYL-SUBSTITUTED CYCLIC CETOENOLS BAYER CROPSCIENCE AG (DE) 2012-08-22 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
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 PTGS2 5/4885SRC 1653/4885GSK3B 4204/4885
US-20040122254-A1 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives CYP2F1, CYP2E1, PTGER1 PTGS2 8/4885SRC 1113/4885GSK3B 4412/4885
US-20020183391-A1 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives CYP2F1, CYP2E1, PTGER1 PTGS2 8/4885SRC 1113/4885GSK3B 4412/4885

“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.