SCHEMBL2979474

SCHEMBL2979474

Cc1ccc(-c2cc(=O)oc3cc(Sc4ncc(C(O)(C(F)(F)F)C(F)(F)F)s4)ccc23)cn1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.69
ALOX5 P09917 7/20 0.48
CA12 O43570 5/20 0.37
CA9 Q16790 5/20 0.37
NOD2 Q9HC29 1/20 0.33
HPGD P15428 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
ALDH2 P05091 1/20 0.32
AKR1B1 P15121 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HSD17B3 P37058 1/20 0.32
SORD Q00796 1/20 0.32
RAB9A P51151 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL2989876 0.92 MLYCD (0.70) MLYCDALOX5CA12CA9NOD2
SCHEMBL2990150 0.90 MLYCD (0.56) MLYCDALOX5CA12CA9NOD2
SCHEMBL2991946 0.89 MLYCD (0.71) MLYCDALOX5CA12CA9NOD2
SCHEMBL2991939 0.89 MLYCD (0.66) MLYCDALOX5CA12CA9NOD2
SCHEMBL2983385 0.89 MLYCD (0.66) MLYCDALOX5CA12CA9NOD2
SCHEMBL2985736 0.88 MLYCD (0.72) MLYCDALOX5CA12CA9HPGD
SCHEMBL2985881 0.88 MLYCD (0.67) MLYCDALOX5CA12CA9HPGD
SCHEMBL2994527 0.88 MLYCD (0.67) MLYCDALOX5CA12CA9NOD2
SCHEMBL2994595 0.88 MLYCD (0.67) MLYCDALOX5NOD2HPGDALDH1A1
SCHEMBL2991945 0.88 MLYCD (0.69) MLYCDALOX5CA12CA9HPGD

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 17/4885CA12 3849/4885

“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.