SCHEMBL2986642

SCHEMBL2986642

CC[C@](O)(c1cnc([S+]([O-])c2ccc3c(-c4ccc(F)cc4)cc(=O)oc3c2)s1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 8/20 0.51
▸ GRM2 Q14416 5/20 0.36
▸ MLYCD O95822 1/20 0.36
▸ GRM3 Q14832 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5005112 0.89 ALOX5 (0.48) ALOX5MLYCDCA12CA9LMNA
SCHEMBL2984808 0.89 ALOX5 (0.48) ALOX5MLYCDCA12CA9LMNA
SCHEMBL2983754 0.85 ALOX5 (0.57) ALOX5MLYCDCA12CA9HPGD
SCHEMBL2986061 0.84 ALOX5 (0.41) ALOX5MLYCDCA12CA9HPGD
SCHEMBL2975435 0.83 ALOX5 (0.51) ALOX5GRM2MLYCDGRM3CA12
SCHEMBL2985984 0.83 ALOX5 (0.39) ALOX5MLYCDCA12CA9HPGD
SCHEMBL2979837 0.81 MLYCD (0.57) ALOX5GRM2MLYCDGRM3CA12
SCHEMBL2987497 0.81 MLYCD (0.57) ALOX5GRM2MLYCDGRM3CA12
SCHEMBL2985044 0.81 MLYCD (0.57) ALOX5GRM2MLYCDGRM3CA12
SCHEMBL2981042 0.75 MLYCD (0.44) ALOX5MLYCDCA12CA9HPGD

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 7 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-20100137371-A1 Novel Pharmaceutical Compounds MERCK FROSST CANADA LTD. (CA) 2010-06-03 — — US disclosed
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-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-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 ALOX5 17/4885GRM2 4455/4885MLYCD 2142/4885
US-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 ALOX5 17/4885GRM2 3865/4885MLYCD 2597/4885

“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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