Sugi Predict

Sugi Predict / Compounds / SCHEMBL2979741

SCHEMBL2979741

SCHEMBL2979741

O=c1cc(-c2ccc(F)cc2)c2ccc(Sc3ncc(C(O)(c4ccc(F)cc4)C(F)(F)F)s3)cc2o1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 2/20 0.58
▸ ALOX5 P09917 7/20 0.54
▸ CA12 O43570 5/20 0.36
▸ CA9 Q16790 5/20 0.36
▸ ALDH2 P05091 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ HSD17B3 P37058 1/20 0.33
▸ SORD Q00796 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 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
SCHEMBL5010553 0.97 ALOX5 (0.59) MLYCDALOX5CA12CA9ALDH2
SCHEMBL2983368 0.96 MLYCD (0.56) MLYCDALOX5CA12CA9ALDH2
SCHEMBL2991946 0.90 MLYCD (0.71) MLYCDALOX5CA12CA9ALDH2
SCHEMBL2990446 0.89 MLYCD (0.59) MLYCDALOX5CA12CA9ALDH2
SCHEMBL2987971 0.88 MLYCD (0.65) MLYCDALOX5CA12CA9ALDH1A1
SCHEMBL2987497 0.86 MLYCD (0.57) MLYCDALOX5CA12CA9ALDH1A1
SCHEMBL2985044 0.86 MLYCD (0.57) MLYCDALOX5CA12CA9ALDH1A1
SCHEMBL2982483 0.86 MLYCD (0.57) MLYCDALOX5CA12CA9ALDH1A1
SCHEMBL2984933 0.86 MLYCD (0.57) MLYCDALOX5CA12CA9ALDH1A1
SCHEMBL2992269 0.86 MLYCD (0.57) MLYCDALOX5CA12CA9ALDH1A1

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 2142/4885ALOX5 17/4885CA12 4446/4885
US-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 MLYCD 2597/4885ALOX5 17/4885CA12 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.