SCHEMBL2985671

SCHEMBL2985671

O=c1cc(-c2ccccc2C(F)(F)F)c2ccc(Sc3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)cc2o1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 3/20 0.69
▸ ALOX5 P09917 5/20 0.47
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ HSD17B3 P37058 1/20 0.34
▸ PSMB8 P28062 1/20 0.34
▸ AR P10275 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32

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
SCHEMBL2991731 0.89 MLYCD (0.69) MLYCDALOX5CA12CA9HSD17B3
SCHEMBL2985736 0.88 MLYCD (0.72) MLYCDALOX5CA12CA9HSD17B3
SCHEMBL2990450 0.88 MLYCD (0.67) MLYCDALOX5CA12CA9HSD17B3
SCHEMBL2975269 0.85 MLYCD (0.66) MLYCDALOX5CA12CA9
SCHEMBL2984094 0.84 MLYCD (0.69) MLYCDALOX5CA12CA9HSD17B3
SCHEMBL2991945 0.84 MLYCD (0.69) MLYCDALOX5CA12CA9HSD17B3
SCHEMBL2991946 0.84 MLYCD (0.71) MLYCDALOX5CA12CA9HSD17B3
SCHEMBL2988694 0.84 MLYCD (0.71) MLYCDALOX5CA12CA9HSD17B3
SCHEMBL2989841 0.83 MLYCD (0.68) MLYCDALOX5CA12CA9HSD17B3
SCHEMBL2989876 0.83 MLYCD (0.70) MLYCDALOX5CA12CA9HSD17B3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137371-A1 Novel Pharmaceutical Compounds MERCK FROSST CANADA LTD. (CA) 2010-06-03 — — US disclosed
US-7439260-B2 7-(1,3-thiazol-2-YL)thio-coumarin derivatives and their use as leukotriene biosynthesis inhibitors MERCK FORSST CANADA & CO. (CA) 2008-10-21 — — US disclosed
US-20060116406-A1 7-(1,3-thiazol-2-yl)thio!-coumarin derivatives and their use as leukotriene biosynthesis inhibitors GAREAU YVES 2006-06-01 — — US disclosed
EP-1636222-A1 7-[(1,3-THIAZOL-2-YL)THIO]-COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-03-22 — — EP disclosed
WO-2004108720-A1 7- (1, 3-THIAZOL-2-YL)THIO!-COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITORS MERCK FROSST CANADA LTD. (CA) 2004-12-16 — — 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-20060116406-A1 7-(1,3-thiazol-2-yl)thio!-coumarin derivatives and their use as leukotriene biosynthesis inhibitors LTC4S, LTA4H, CYSLTR1 MLYCD 2142/4885ALOX5 17/4885CA12 4446/4885
US-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 MLYCD 2597/4885ALOX5 17/4885CA12 3849/4885

“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.

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