SCHEMBL2991972

SCHEMBL2991972

CC(C(=O)O)[C@](O)(c1cnc(S)s1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 19/20 0.38
FFAR2 O15552 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
SCHEMBL2983540 1.00 MLYCD (0.38) MLYCDFFAR2
SCHEMBL2979549 1.00 MLYCD (0.38) MLYCDFFAR2
SCHEMBL2992212 0.71 MLYCD (0.49) MLYCD
SCHEMBL2983613 0.71 MLYCD (0.34) MLYCD
SCHEMBL2991724 0.68 MLYCD (0.36) MLYCD
SCHEMBL1445463 0.68 MLYCD (0.36) MLYCD
SCHEMBL1599140 0.68 SMN1; SMN2 (0.37) MLYCD
SCHEMBL2991970 0.67 MLYCD (0.34) MLYCD
SCHEMBL2988611 0.63 PSEN1 (0.35) MLYCD
Thiophene SCHEMBL2988236 0.62 MLYCD (0.32) MLYCD

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-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 MLYCD 2142/4885FFAR2 1238/4885
US-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 MLYCD 2597/4885FFAR2 235/4885

“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.