SCHEMBL4026969

SCHEMBL4026969

CC(c1cc(Br)c2ncccc2c1)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
GLO1 Q04760 1/20 0.40
MAPK1 P28482 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
COMT P21964 1/20 0.37
CCR1 P32246 2/20 0.37
CCR8 P51685 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6605252 0.83 MEN1 (0.39) ALOX15HTTGLO1MAPK1CA1
SCHEMBL1065843 0.83 TDP1 (0.43) ALOX15HTTTDP1MEN1KMT2A
SCHEMBL5842794 0.81 MAPT (0.42) ALOX15HTTMAPK1CA1CA2
SCHEMBL5778919 0.78 GLO1 (0.37) ALOX15HTTGLO1MAPK1CA1
SCHEMBL5843572 0.77 COMT (0.46) ALOX15HTTGLO1MAPK1CA1
SCHEMBL27605709 0.76 CCR1 (0.35) TDP1MEN1KMT2APDE4APDE4B
SCHEMBL4025246 0.73 CYP2C9 (0.48) ALOX15HTTGLO1MAPK1CA1
SCHEMBL6987990 0.73 CCR1 (0.35) ALOX15HTTTDP1PDE4APDE4B
SCHEMBL4028251 0.72 CYP2C9 (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL6986883 0.71 GLO1 (0.42) ALOX15HTTGLO1MAPK1CA1

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
CN-100508978-C Substituted 8-arylquinoline phosphodiesterase-4 inhibitors MERCK & CO INC MERCK FROSST CA (US) 2009-07-08 CN disclosed
EP-1363635-B1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK & CO INC (US) 2009-04-15 EP disclosed
CN-1551769-A Substituted 8-arylquinoline phosphodiesterase-4 inhibitors 2004-12-01 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
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 ALOX15 4061/4885HTT 4205/4885GLO1 2958/4885
US-20020143032-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 ALOX15 2799/4885HTT 3299/4885GLO1 2971/4885

“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.