SCHEMBL2979651

SCHEMBL2979651

Cc1ccccc1-c1cc(=O)oc2cc(S(=O)(=O)c3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 6/20 0.49
▸ KCNA3 P22001 2/20 0.39
▸ CA9 Q16790 4/20 0.38
▸ CA12 O43570 3/20 0.38
▸ LOX P28300 2/20 0.36
▸ ALOX5 P09917 2/20 0.35
▸ LOXL2 Q9Y4K0 2/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ GLA P06280 1/20 0.32
▸ PKM P14618 1/20 0.32

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
SCHEMBL2989755 0.84 MLYCD (0.51) MLYCDCA9CA12ALOX5KDM4E
SCHEMBL2981042 0.82 MLYCD (0.44) MLYCDKCNA3CA9CA12ALOX5
SCHEMBL2991731 0.80 MLYCD (0.69) MLYCDKCNA3CA9CA12ALOX5
SCHEMBL2975435 0.75 ALOX5 (0.51) MLYCDCA9CA12ALOX5KDM4E
SCHEMBL2979312 0.73 ALOX5 (0.41) MLYCDCA9CA12ALOX5
SCHEMBL2989905 0.71 ALOX5 (0.39) MLYCDCA9CA12ALOX5KDM4E
SCHEMBL5960294 0.70 ALOX5 (0.46) MLYCDCA9CA12ALOX5KDM4E
SCHEMBL2985671 0.69 MLYCD (0.69) MLYCDCA9CA12ALOX5KDM4E
SCHEMBL2989918 0.69 ALOX5 (0.57) MLYCDCA9CA12LOXALOX5
SCHEMBL2975269 0.69 MLYCD (0.66) MLYCDCA9CA12ALOX5

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 2142/4885KCNA3 4357/4885CA9 3097/4885
US-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 MLYCD 2597/4885KCNA3 3692/4885CA9 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.

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