SCHEMBL4033353

SCHEMBL4033353

Cc1noc(Cc2ccc(S(C)(=O)=O)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.42
HTR2C P28335 2/20 0.42
SMN1; SMN2 Q16637 6/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
PTGS2 P35354 3/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL14140248 0.77 SMN1; SMN2 (0.46) HTR1AHTR2CSMN1; SMN2MAPTCYP2C9
SCHEMBL6676822 0.77 HTR1A (0.52) HTR1AHTR2CSMN1; SMN2MAPTCYP2C9
SCHEMBL10094741 0.76 SMN1; SMN2 (0.56) HTR1AHTR2CSMN1; SMN2MAPTCYP2C9
Hydrochloric Acid SCHEMBL8136900 0.76 HTR1A (0.51) HTR1AHTR2CSMN1; SMN2MAPTCYP2C9
SCHEMBL13231429 0.73 ENPP2 (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1PTGS2
SCHEMBL7533589 0.73 MAPT (0.58) SMN1; SMN2MAPTHSD17B10RAB9ANPC1
SCHEMBL4025849 0.73 MAPT (0.58) SMN1; SMN2MAPTHSD17B10RAB9ANPC1
SCHEMBL4827762 0.70 S1PR1 (0.42) MAPTCYP2C9PTGS2
Hydrochloric Acid SCHEMBL4829805 0.69 S1PR1 (0.42) MAPTCYP2C9PTGS2
SCHEMBL8279278 0.68 LMNA (0.60) HTR1AHTR2CSMN1; SMN2MAPTHSD17B10

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 15 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
EP-1363635-B1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK & CO INC (US) 2009-04-15 EP disclosed
US-6919353-B2 Substituted 8-arylquinolune PDE4 inhibitors MERCK FROSST CANADA & CO. (CA) 2005-07-19 US disclosed
EP-1404330-B1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC (CA) 2005-06-01 EP disclosed
US-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2004-08-19 US 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-1404330-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-04-07 EP disclosed
EP-1363635-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS Merck & Co., Inc. (US) 2003-11-26 EP disclosed
WO-2003002118-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-01-09 WO 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 (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-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors PDE12, PDE4A, PDE4B HTR1A 278/4885HTR2C 719/4885SMN1; SMN2 2728/4885
US-20020103226-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE4C HTR1A 1421/4885HTR2C 992/4885SMN1; SMN2 3305/4885
US-20020143032-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 HTR1A 1655/4885HTR2C 1366/4885SMN1; SMN2 2779/4885

“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.