SCHEMBL2986135

SCHEMBL2986135

COC(=O)c1ccc(-c2cc(=O)oc3cc(Sc4ncc(C(O)(C(F)(F)F)C(F)(F)F)s4)ccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.64
ALOX5 P09917 6/20 0.47
AR P10275 1/20 0.40
HPGD P15428 4/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
CA9 Q16790 1/20 0.37
NOD2 Q9HC29 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.36
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL2994595 0.89 MLYCD (0.67) MLYCDALOX5HPGDKDM4EALDH1A1
SCHEMBL2989876 0.88 MLYCD (0.70) MLYCDALOX5HPGDKDM4EALDH1A1
SCHEMBL2991946 0.87 MLYCD (0.71) MLYCDALOX5CA9NOD2
SCHEMBL2985736 0.86 MLYCD (0.72) MLYCDALOX5HPGDALDH1A1CA9
SCHEMBL2985667 0.86 MLYCD (0.65) MLYCDALOX5HPGDKDM4EALDH1A1
SCHEMBL2994527 0.86 MLYCD (0.67) MLYCDALOX5HPGDKDM4EALDH1A1
SCHEMBL2979474 0.85 MLYCD (0.69) MLYCDALOX5HPGDKDM4EALDH1A1
SCHEMBL2987971 0.85 MLYCD (0.65) MLYCDALOX5HPGDKDM4EALDH1A1
SCHEMBL2982734 0.84 MLYCD (0.67) MLYCDALOX5ALDH1A1CA9NOD2
SCHEMBL2988694 0.84 MLYCD (0.71) MLYCDALOX5HPGDALDH1A1CA9

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 4 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
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 (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-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 MLYCD 2597/4885ALOX5 17/4885AR 3819/4885

“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.