SCHEMBL2994522

SCHEMBL2994522

COC(c1cnc(Sc2ccc3c(-c4ccc(F)cc4)cc(=O)oc3c2)s1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.54
ALOX5 P09917 7/20 0.45
NOD2 Q9HC29 1/20 0.37
RAB9A P51151 1/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2990446 0.87 MLYCD (0.59) MLYCDALOX5NOD2LMNACA12
SCHEMBL2991946 0.86 MLYCD (0.71) MLYCDALOX5NOD2CA12CA9
SCHEMBL2987971 0.86 MLYCD (0.65) MLYCDALOX5NOD2HPGDKDM4E
SCHEMBL2982096 0.86 MLYCD (0.53) MLYCDALOX5NOD2RAB9AHPGD
SCHEMBL2989934 0.85 MLYCD (0.53) MLYCDALOX5NOD2HPGDKDM4E
SCHEMBL2992269 0.84 MLYCD (0.57) MLYCDALOX5NOD2RAB9AHPGD
SCHEMBL2987497 0.84 MLYCD (0.57) MLYCDALOX5HPGDKDM4EALDH1A1
SCHEMBL2982483 0.84 MLYCD (0.57) MLYCDALOX5NOD2HPGDKDM4E
SCHEMBL2979837 0.84 MLYCD (0.57) MLYCDALOX5HPGDKDM4EALDH1A1
SCHEMBL2985044 0.84 MLYCD (0.57) MLYCDALOX5HPGDKDM4EALDH1A1

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 17/4885NOD2 1701/4885

“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.