SCHEMBL2983777

SCHEMBL2983777

CCC(O)(CC)c1csc(Sc2ccc3c(-c4ccc(F)cc4)cc(=O)oc3c2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 9/20 0.47
▸ MLYCD O95822 1/20 0.44
▸ CA12 O43570 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ NOD2 Q9HC29 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALDH2 P05091 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ HSD17B3 P37058 1/20 0.34
▸ SORD Q00796 1/20 0.34
▸ PGR P06401 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
SCHEMBL4085274 0.84 ALOX5 (0.47) ALOX5MLYCDCA12CA9NOD2
SCHEMBL2990290 0.83 ALOX5 (0.46) ALOX5MLYCDCA12CA9NOD2
SCHEMBL2984945 0.83 MLYCD (0.55) ALOX5MLYCDCA12CA9NOD2
SCHEMBL6105220 0.82 ALOX5 (0.43) ALOX5MLYCDCA12CA9NOD2
SCHEMBL5005145 0.80 ALOX5 (0.41) ALOX5MLYCDCA12CA9NOD2
SCHEMBL2986217 0.79 MLYCD (0.54) ALOX5MLYCDCA12CA9NOD2
SCHEMBL2987497 0.77 MLYCD (0.57) ALOX5MLYCDCA12CA9KDM4E
SCHEMBL2979837 0.77 MLYCD (0.57) ALOX5MLYCDCA12CA9KDM4E
SCHEMBL2985044 0.77 MLYCD (0.57) ALOX5MLYCDCA12CA9KDM4E
SCHEMBL2982096 0.76 MLYCD (0.53) ALOX5MLYCDCA12CA9NOD2

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-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
EP-1636222-A1 7-[(1,3-THIAZOL-2-YL)THIO]-COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-03-22 — — EP disclosed
WO-2004108720-A1 7- (1, 3-THIAZOL-2-YL)THIO!-COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITORS MERCK FROSST CANADA LTD. (CA) 2004-12-16 — — WO 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 17/4885MLYCD 2142/4885CA12 4446/4885
US-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 ALOX5 17/4885MLYCD 2597/4885CA12 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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