SCHEMBL4030982

SCHEMBL4030982

CSc1ccc(C(O)c2nccs2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
KDM4E B2RXH2 1/20 0.37
SLC6A4 P31645 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
FBP1 P09467 6/20 0.36
ACACB O00763 1/20 0.34
ADAM17 P78536 1/20 0.34
CTSA P10619 2/20 0.33
KCNH2 Q12809 2/20 0.33
PTGS1 P23219 1/20 0.33
PRKDC P78527 1/20 0.33

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
SCHEMBL31090349 0.79 ALOX5 (0.41) ALOX5KDM4ESLC6A4NPC1RAB9A
SCHEMBL12064962 0.79 CTSA (0.45) ALOX5NPC1RAB9AFBP1CTSA
SCHEMBL6011470 0.79 FFAR2 (0.46) ALOX5MAPTFBP1CTSA
SCHEMBL5514812 0.79 ALOX5 (0.41) ALOX5KDM4ENPC1RAB9AFBP1
SCHEMBL6848050 0.79 ALOX5 (0.52) ALOX5KDM4ENPC1RAB9ACTSA
SCHEMBL6182478 0.75 SLC6A4 (0.50) ALOX5KDM4ESLC6A4ACACB
SCHEMBL4768669 0.75 ALDH1A1 (0.42) ALOX5KDM4EFBP1ADAM17CTSA
SCHEMBL2523361 0.74 CTSA (0.46) ALOX5KDM4ENPC1POLBMAPT
SCHEMBL31090348 0.73 GAA (0.52) KDM4ENPC1POLBMAPTRAB9A
SCHEMBL29752075 0.72 ACHE (0.52) ALOX5RAB9ACTSA

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 ALOX5 2946/4885KDM4E 63/4885SLC6A4 308/4885
US-20020143032-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 ALOX5 1269/4885KDM4E 367/4885SLC6A4 65/4885

“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.