SCHEMBL2983344

SCHEMBL2983344

O=c1cc(-c2cccc(O)c2)c2ccc(Sc3ncc(C(O)(C4CC4)C4CC4)s3)cc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.51
CA12 O43570 9/20 0.42
CA9 Q16790 9/20 0.42
MAOB P27338 2/20 0.41
AKR1B1 P15121 2/20 0.41
HSD17B3 P37058 2/20 0.41
ALDH2 P05091 1/20 0.41
MAOA P21397 1/20 0.41
SORD Q00796 1/20 0.41
ALOX5 P09917 3/20 0.40
NOD2 Q9HC29 1/20 0.34
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL2975439 0.91 MLYCD (0.53) MLYCDCA12CA9MAOBAKR1B1
SCHEMBL2989701 0.91 MLYCD (0.50) MLYCDCA12CA9MAOBAKR1B1
SCHEMBL2983706 0.91 MLYCD (0.50) MLYCDCA12CA9MAOBAKR1B1
SCHEMBL2989906 0.89 MLYCD (0.49) MLYCDCA12CA9MAOBAKR1B1
SCHEMBL2977302 0.89 MLYCD (0.51) MLYCDCA12CA9MAOBAKR1B1
SCHEMBL2985660 0.89 MLYCD (0.48) MLYCDCA12CA9MAOBAKR1B1
SCHEMBL2994598 0.87 MLYCD (0.53) MLYCDCA12CA9MAOBAKR1B1
SCHEMBL2992122 0.86 MLYCD (0.52) MLYCDCA12CA9MAOBAKR1B1
SCHEMBL2986064 0.86 MLYCD (0.54) MLYCDCA12CA9MAOBAKR1B1
SCHEMBL2989592 0.86 MLYCD (0.52) MLYCDCA12CA9MAOBAKR1B1

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 2142/4885CA12 4446/4885CA9 3097/4885
US-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 MLYCD 2597/4885CA12 3849/4885CA9 2746/4885

“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.