SCHEMBL2990795

SCHEMBL2990795

CCCc1cc(=O)oc2cc(Sc3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)ccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 2/20 0.63
▸ HSD17B3 P37058 3/20 0.46
▸ ALDH1A1 P00352 8/20 0.42
▸ KDM4E B2RXH2 7/20 0.42
▸ HPGD P15428 5/20 0.42
▸ GAA P10253 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ ALOX5 P09917 3/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2977295 0.93 MLYCD (0.66) MLYCDHSD17B3ALDH1A1KDM4EHPGD
SCHEMBL2991832 0.85 MLYCD (0.61) MLYCDHSD17B3ALOX5
SCHEMBL2985667 0.81 MLYCD (0.65) MLYCDALDH1A1KDM4EHPGDKMT2A
SCHEMBL2989876 0.81 MLYCD (0.70) MLYCDHSD17B3ALDH1A1KDM4EHPGD
SCHEMBL2990450 0.80 MLYCD (0.67) MLYCDHSD17B3ALDH1A1HPGDTDP1
SCHEMBL2986051 0.80 MLYCD (0.64) MLYCDHSD17B3KDM4EALOX5MAPT
SCHEMBL2985736 0.80 MLYCD (0.72) MLYCDHSD17B3ALDH1A1HPGDRAB9A
SCHEMBL2991731 0.80 MLYCD (0.69) MLYCDHSD17B3ALDH1A1KDM4EHPGD
SCHEMBL2979474 0.80 MLYCD (0.69) MLYCDHSD17B3ALDH1A1KDM4EHPGD
SCHEMBL2988694 0.80 MLYCD (0.71) MLYCDHSD17B3ALDH1A1HPGDTDP1

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 2142/4885HSD17B3 1193/4885ALDH1A1 123/4885
US-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 MLYCD 2597/4885HSD17B3 1607/4885ALDH1A1 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.

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