SCHEMBL2989755

SCHEMBL2989755

O=c1cc(-c2ccc(F)cc2)c2ccc(S(=O)(=O)c3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)cc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 3/20 0.51
▸ ALOX5 P09917 7/20 0.48
▸ TUBB P07437 1/20 0.36
▸ CA12 O43570 5/20 0.35
▸ CA9 Q16790 5/20 0.35
▸ GCK P35557 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALDH2 P05091 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ HSD17B3 P37058 1/20 0.34
▸ SORD Q00796 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL2975435 0.89 ALOX5 (0.51) MLYCDALOX5CA12CA9LMNA
SCHEMBL2979312 0.88 ALOX5 (0.41) MLYCDALOX5TUBBCA12CA9
SCHEMBL2989905 0.87 ALOX5 (0.39) MLYCDALOX5TUBBCA12CA9
SCHEMBL5960294 0.85 ALOX5 (0.46) MLYCDALOX5TUBBCA12CA9
SCHEMBL2979651 0.84 MLYCD (0.49) MLYCDALOX5CA12CA9KDM4E
SCHEMBL2989918 0.82 ALOX5 (0.57) MLYCDALOX5TUBBCA12CA9
SCHEMBL2984808 0.82 ALOX5 (0.48) MLYCDALOX5TUBBCA12CA9
SCHEMBL5005112 0.82 ALOX5 (0.48) MLYCDALOX5TUBBCA12CA9
SCHEMBL2991946 0.79 MLYCD (0.71) MLYCDALOX5TUBBCA12CA9
SCHEMBL7809015 0.78 ALOX5 (0.61) ALOX5CA12CA9LMNAALDH2

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 17/4885TUBB 1628/4885
US-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 MLYCD 2597/4885ALOX5 17/4885TUBB 2813/4885

“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.

Send feedback