SCHEMBL2992261

SCHEMBL2992261

O=c1cc(-c2cccc(OC(F)F)c2)c2ccc(Sc3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)cc2o1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.62
ALOX5 P09917 5/20 0.47
ALDH1A1 P00352 8/20 0.37
HPGD P15428 6/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.35
LMNA P02545 2/20 0.34
CA9 Q16790 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 2/20 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
SCHEMBL13290357 0.90 MLYCD (0.64) MLYCDALOX5ALDH1A1HPGDSMN1; SMN2
SCHEMBL2990091 0.90 MLYCD (0.51) MLYCDALOX5ALDH1A1HPGDSMN1; SMN2
SCHEMBL2989841 0.87 MLYCD (0.68) MLYCDALOX5ALDH1A1HPGDSMN1; SMN2
SCHEMBL2985736 0.86 MLYCD (0.72) MLYCDALOX5ALDH1A1HPGDSMN1; SMN2
SCHEMBL2985881 0.86 MLYCD (0.67) MLYCDALOX5ALDH1A1HPGDUSP2
SCHEMBL2990245 0.85 MLYCD (0.64) MLYCDALOX5ALDH1A1HPGDUSP2
SCHEMBL2991945 0.84 MLYCD (0.69) MLYCDALOX5ALDH1A1HPGDSMN1; SMN2
SCHEMBL2982425 0.84 MLYCD (0.64) MLYCDALOX5ALDH1A1HPGDSMN1; SMN2
SCHEMBL2987638 0.83 MLYCD (0.61) MLYCDALOX5ALDH1A1HPGDUSP2
SCHEMBL2994595 0.83 MLYCD (0.67) MLYCDALOX5ALDH1A1HPGDLMNA

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 17/4885ALDH1A1 232/4885

“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.