SCHEMBL2977295

SCHEMBL2977295

CCc1cc(=O)oc2cc(Sc3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)ccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 4/20 0.66
▸ HSD17B3 P37058 4/20 0.43
▸ ALOX5 P09917 4/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HPGD P15428 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ERAP1 Q9NZ08 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
SCHEMBL2990795 0.93 MLYCD (0.63) MLYCDHSD17B3ALOX5ALDH1A1KMT2A
SCHEMBL2991832 0.88 MLYCD (0.61) MLYCDHSD17B3ALOX5
SCHEMBL2985667 0.83 MLYCD (0.65) MLYCDALOX5ALDH1A1MEN1KMT2A
SCHEMBL2989876 0.83 MLYCD (0.70) MLYCDHSD17B3ALOX5ALDH1A1HPGD
SCHEMBL2990450 0.83 MLYCD (0.67) MLYCDHSD17B3ALOX5ALDH1A1HPGD
SCHEMBL2985736 0.83 MLYCD (0.72) MLYCDHSD17B3ALOX5ALDH1A1POLB
SCHEMBL2986051 0.83 MLYCD (0.64) MLYCDHSD17B3ALOX5KDM4EMAPT
SCHEMBL2991731 0.82 MLYCD (0.69) MLYCDHSD17B3ALOX5ALDH1A1HPGD
SCHEMBL2979474 0.82 MLYCD (0.69) MLYCDHSD17B3ALOX5ALDH1A1HPGD
SCHEMBL2991946 0.82 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 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 2142/4885HSD17B3 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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