SCHEMBL2981042

SCHEMBL2981042

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 6/20 0.44
▸ KCNA3 P22001 3/20 0.39
▸ CA12 O43570 5/20 0.38
▸ CA9 Q16790 5/20 0.38
▸ ALOX5 P09917 3/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH2 P05091 1/20 0.31
▸ AKR1B1 P15121 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ HSD17B3 P37058 1/20 0.31
▸ SORD Q00796 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL2984808 0.84 ALOX5 (0.48) MLYCDCA12CA9ALOX5ALDH2
SCHEMBL5005112 0.84 ALOX5 (0.48) MLYCDCA12CA9ALOX5ALDH2
SCHEMBL2979651 0.82 MLYCD (0.49) MLYCDKCNA3CA12CA9ALOX5
SCHEMBL2991731 0.80 MLYCD (0.69) MLYCDKCNA3CA12CA9ALOX5
SCHEMBL2986642 0.75 ALOX5 (0.51) MLYCDCA12CA9ALOX5KDM4E
SCHEMBL2986061 0.73 ALOX5 (0.41) MLYCDCA12CA9ALOX5KDM4E
SCHEMBL2985984 0.71 ALOX5 (0.39) MLYCDCA12CA9ALOX5KDM4E
SCHEMBL2985671 0.69 MLYCD (0.69) MLYCDCA12CA9ALOX5KDM4E
SCHEMBL2983754 0.69 ALOX5 (0.57) MLYCDCA12CA9ALOX5KDM4E
SCHEMBL2975269 0.69 MLYCD (0.66) MLYCDCA12CA9ALOX5

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 2 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

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 2597/4885KCNA3 3692/4885CA12 3849/4885

“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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