SCHEMBL4030219

SCHEMBL4030219

Cc1ccc(C(O)c2ccc(S(C)(=O)=O)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.51
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
PTGS1 P23219 1/20 0.44
PDE4D Q08499 1/20 0.44
MAPK14 Q16539 1/20 0.44
ENPP2 Q13822 2/20 0.40
CCR9 P51686 1/20 0.39
PIK3CA P42336 2/20 0.38
MTOR P42345 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL27890833 0.81 PTGS2 (0.48) PTGS2ABCC4ABCB11PTGS1PDE4D
SCHEMBL322720 0.78 PTGS2 (0.46) PTGS2ABCC4ABCB11PTGS1PDE4D
SCHEMBL27482511 0.78 PTGS2 (0.46) PTGS2ABCC4ABCB11PTGS1PDE4D
SCHEMBL14511065 0.78 SMN1; SMN2 (0.58) CA12CA1CA2CA9CA14
SCHEMBL1640713 0.77 PTGS2 (0.56) PTGS2ABCC4ABCB11PTGS1PDE4D
SCHEMBL23882826 0.76 CYP3A4 (0.50) PTGS2PTGS1ENPP2CA12CA1
SCHEMBL23882753 0.76 CYP3A4 (0.50) PTGS2PTGS1ENPP2CA12CA1
SCHEMBL14655852 0.76 PTGS2 (0.47) PTGS2ABCC4ABCB11PTGS1PDE4D
SCHEMBL27482169 0.76 PTGS2 (0.47) PTGS2ABCC4ABCB11PTGS1PDE4D
SCHEMBL14033381 0.75 CA1 (0.61) PTGS2ENPP2CA12CA1CA2

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
EP-1363635-B1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK & CO INC (US) 2009-04-15 EP disclosed
CN-1221534-C Substituted 8-arylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2005-10-05 CN disclosed
US-6740666-B2 FOR THERAPY OF ASTHMA, CHRONIC BRONCHITIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, EOSINOPHILIC GRANULOMA, PSORIASIS; SEPTIC SHOCK, ULCERATIVE COLITIS, CROHN'S DISEASE, REPERFUSION INJURY OF THE MYOCARDIUM AND BRAIN, INFLAMMATION MERCK & CO., INC. 2004-05-25 US disclosed
EP-1363635-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS Merck & Co., Inc. (US) 2003-11-26 EP disclosed
CN-1434801-A Substited 8-anylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2003-08-06 CN disclosed
US-20020143032-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2002-10-03 US disclosed
EP-1244628-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2002-10-02 EP disclosed
WO-2002069970-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK & CO., INC. (US) 2002-09-12 WO disclosed
US-20020103226-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2002-08-01 US disclosed
US-6410563-B1 RESPIRATORY SYSTEM DISORDERS; ANTIARTHRITIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-06-25 US disclosed
WO-2001046151-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-06-28 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 (2 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-20020103226-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE4C PTGS2 780/4885ABCC4 295/4885ABCB11 3933/4885
US-20020143032-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 PTGS2 429/4885ABCC4 256/4885ABCB11 3127/4885

“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.