SCHEMBL2989906

SCHEMBL2989906

O=c1cc(-c2cccc(CO)c2)c2ccc(Sc3ncc(C(O)(C4CC4)C4CC4)s3)cc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.49
ALOX5 P09917 3/20 0.40
MAOB P27338 5/20 0.37
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
MAOA P21397 2/20 0.35
ALDH2 P05091 1/20 0.35
AKR1B1 P15121 1/20 0.35
HSD17B3 P37058 1/20 0.35
SORD Q00796 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
USP2 O75604 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ESR1 P03372 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
SCHEMBL2975439 0.91 MLYCD (0.53) MLYCDALOX5MAOBCA12CA9
SCHEMBL2983344 0.89 MLYCD (0.51) MLYCDALOX5MAOBCA12CA9
SCHEMBL2989701 0.89 MLYCD (0.50) MLYCDALOX5MAOBCA12CA9
SCHEMBL2983706 0.89 MLYCD (0.50) MLYCDALOX5MAOBCA12CA9
SCHEMBL2977302 0.87 MLYCD (0.51) MLYCDALOX5MAOBCA12CA9
SCHEMBL2985660 0.86 MLYCD (0.48) MLYCDALOX5MAOBCA12CA9
SCHEMBL2986064 0.86 MLYCD (0.54) MLYCDALOX5MAOBCA12CA9
SCHEMBL2994598 0.85 MLYCD (0.53) MLYCDALOX5MAOBCA12CA9
SCHEMBL2992122 0.84 MLYCD (0.52) MLYCDALOX5MAOBCA12CA9
SCHEMBL2989592 0.84 MLYCD (0.52) MLYCDALOX5MAOBCA12CA9

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 3 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

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 17/4885MAOB 2936/4885
US-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 MLYCD 2597/4885ALOX5 17/4885MAOB 2098/4885

“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.