SCHEMBL4025849

SCHEMBL4025849

COc1ccc(OCc2noc(Cc3ccc(S(C)(=O)=O)cc3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 7/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 1/20 0.46
TSHR P16473 4/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX15 P16050 1/20 0.46
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7533589 1.00 MAPT (0.58) MAPTSMN1; SMN2NPC1RAB9ATDP1
SCHEMBL481177 0.78 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9ATDP1
SCHEMBL22639714 0.74 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9ATDP1
SCHEMBL4033353 0.73 HTR1A (0.42) MAPTSMN1; SMN2NPC1RAB9ATDP1
SCHEMBL480958 0.70 RAB9A (0.49) MAPTSMN1; SMN2NPC1RAB9ATDP1
SCHEMBL27516213 0.70 PTGS2 (0.51) MAPTL3MBTL1MAPK1PTGS1PTGS2
SCHEMBL1118283 0.68 PPARG (0.46)
SCHEMBL280156 0.68 PKM (0.70) NPC1RAB9AMAPK1PKMLMNA
SCHEMBL11986371 0.68 PKM (0.70) NPC1RAB9AMAPK1PKMLMNA
SCHEMBL8548707 0.67 ENPP3 (0.57) SMN1; SMN2NPC1RAB9ATDP1MEN1

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 6 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
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-1244628-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2002-10-02 EP 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 (1 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 MAPT 4352/4885SMN1; SMN2 3305/4885NPC1 3310/4885

“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.