Sugi Predict

Sugi Predict / Compounds / SCHEMBL2990091

SCHEMBL2990091

SCHEMBL2990091

CCC(O)(c1cnc(Sc2ccc3c(-c4cccc(OC(F)F)c4)cc(=O)oc3c2)s1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.51
▸ ALOX5 P09917 5/20 0.41
▸ ALDH1A1 P00352 10/20 0.37
▸ HPGD P15428 7/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL2987734 0.93 MLYCD (0.52) MLYCDALOX5ALDH1A1HPGDLMNA
SCHEMBL2984960 0.92 MLYCD (0.53) MLYCDALOX5ALDH1A1HPGDLMNA
SCHEMBL2992261 0.90 MLYCD (0.62) MLYCDALOX5ALDH1A1HPGDLMNA
SCHEMBL2983766 0.88 MLYCD (0.49) MLYCDALOX5ALDH1A1HPGDLMNA
SCHEMBL2983995 0.88 MLYCD (0.55) MLYCDALOX5ALDH1A1HPGDLMNA
SCHEMBL2983994 0.88 MLYCD (0.55) MLYCDALOX5ALDH1A1HPGDLMNA
SCHEMBL2977269 0.88 MLYCD (0.57) MLYCDALOX5ALDH1A1HPGDLMNA
SCHEMBL2977271 0.88 MLYCD (0.57) MLYCDALOX5ALDH1A1HPGDLMNA
SCHEMBL2983229 0.85 MLYCD (0.55) MLYCDALOX5ALDH1A1HPGDUSP2
SCHEMBL2989716 0.85 MLYCD (0.55) MLYCDALOX5ALDH1A1HPGDUSP2

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 17/4885ALDH1A1 123/4885
US-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 MLYCD 2597/4885ALOX5 17/4885ALDH1A1 232/4885

“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.