SCHEMBL2983994

SCHEMBL2983994

CC[C@](O)(c1cnc(Sc2ccc3c(-c4cccc(C)c4)cc(=O)oc3c2)s1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.55
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
ALOX5 P09917 6/20 0.44
ALDH1A1 P00352 6/20 0.40
HPGD P15428 4/20 0.40
KCNA3 P22001 1/20 0.38
USP2 O75604 1/20 0.34
AR P10275 1/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 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
SCHEMBL2983995 1.00 MLYCD (0.55) MLYCDCA12CA9ALOX5ALDH1A1
SCHEMBL2977271 0.92 MLYCD (0.57) MLYCDCA12CA9ALOX5ALDH1A1
SCHEMBL2977269 0.92 MLYCD (0.57) MLYCDCA12CA9ALOX5ALDH1A1
SCHEMBL2985881 0.90 MLYCD (0.67) MLYCDCA12CA9ALOX5ALDH1A1
SCHEMBL2984960 0.90 MLYCD (0.53) MLYCDALOX5ALDH1A1HPGDKCNA3
SCHEMBL2989716 0.89 MLYCD (0.55) MLYCDCA12CA9ALOX5ALDH1A1
SCHEMBL2983229 0.89 MLYCD (0.55) MLYCDCA12CA9ALOX5ALDH1A1
SCHEMBL2987734 0.89 MLYCD (0.52) MLYCDCA12CA9ALOX5ALDH1A1
SCHEMBL2990150 0.89 MLYCD (0.56) MLYCDCA12CA9ALOX5ALDH1A1
SCHEMBL2990091 0.88 MLYCD (0.51) MLYCDALOX5ALDH1A1HPGDUSP2

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-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 claimed
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 claimed
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 2142/4885CA12 4446/4885CA9 3097/4885
US-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 MLYCD 2597/4885CA12 3849/4885CA9 2746/4885

“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.