SCHEMBL2991832

SCHEMBL2991832

O=c1cc(Cc2ccccc2)c2ccc(Sc3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)cc2o1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 4/20 0.61
▸ HSD17B3 P37058 6/20 0.47
▸ ALOX5 P09917 3/20 0.43
▸ AR P10275 1/20 0.35

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
SCHEMBL2977295 0.88 MLYCD (0.66) MLYCDHSD17B3ALOX5
SCHEMBL2990795 0.85 MLYCD (0.63) MLYCDHSD17B3ALOX5
SCHEMBL2985736 0.84 MLYCD (0.72) MLYCDHSD17B3ALOX5
SCHEMBL2990450 0.82 MLYCD (0.67) MLYCDHSD17B3ALOX5AR
SCHEMBL2991731 0.82 MLYCD (0.69) MLYCDHSD17B3ALOX5
SCHEMBL2985671 0.80 MLYCD (0.69) MLYCDHSD17B3ALOX5AR
SCHEMBL2984094 0.79 MLYCD (0.69) MLYCDHSD17B3ALOX5
SCHEMBL2986051 0.79 MLYCD (0.64) MLYCDHSD17B3ALOX5
SCHEMBL2991945 0.79 MLYCD (0.69) MLYCDHSD17B3ALOX5
SCHEMBL2988694 0.78 MLYCD (0.71) MLYCDHSD17B3ALOX5

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 3 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

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 2142/4885HSD17B3 1193/4885ALOX5 17/4885
US-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 MLYCD 2597/4885HSD17B3 1607/4885ALOX5 17/4885

“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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