SCHEMBL2977185

SCHEMBL2977185

COc1cc(OC)cc(-c2cc(=O)oc3cc(Sc4ncc(C(O)(C5CC5)C5CC5)s4)ccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.50
NOD2 Q9HC29 1/20 0.39
HPGD P15428 9/20 0.39
KDM4E B2RXH2 6/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 3/20 0.39
ALDH1A1 P00352 8/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.36
RECQL P46063 1/20 0.36
ALOX5 P09917 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
USP2 O75604 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
SCHEMBL2992122 0.89 MLYCD (0.52) MLYCDNOD2HPGDKDM4EKMT2A
SCHEMBL2989592 0.87 MLYCD (0.52) MLYCDHPGDKDM4EKMT2AHTT
SCHEMBL2975439 0.87 MLYCD (0.53) MLYCDHPGDKDM4EKMT2AHTT
SCHEMBL2994598 0.86 MLYCD (0.53) MLYCDHPGDKDM4EKMT2AHTT
SCHEMBL2986064 0.85 MLYCD (0.54) MLYCDHPGDKDM4EKMT2AHTT
SCHEMBL2989701 0.85 MLYCD (0.50) MLYCDHPGDKDM4EKMT2AHTT
SCHEMBL2977302 0.85 MLYCD (0.51) MLYCDHPGDKDM4EKMT2AHTT
SCHEMBL2983344 0.84 MLYCD (0.51) MLYCDNOD2HPGDKDM4EKMT2A
SCHEMBL2983706 0.83 MLYCD (0.50) MLYCDHPGDKDM4EKMT2AHTT
SCHEMBL2989906 0.82 MLYCD (0.49) MLYCDHPGDKDM4EKMT2AHTT

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 2142/4885NOD2 1021/4885HPGD 226/4885
US-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 MLYCD 2597/4885NOD2 1701/4885HPGD 183/4885

“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.