SCHEMBL2989918

SCHEMBL2989918

CCC(O)(c1cnc(S(=O)(=O)c2ccc3c(-c4ccc(F)cc4)cc(=O)oc3c2)s1)c1nccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 6/20 0.57
▸ PTGS2 P35354 3/20 0.34
▸ PTGS1 P23219 2/20 0.34
▸ MLYCD O95822 2/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ LOX P28300 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 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
SCHEMBL2975435 0.85 ALOX5 (0.51) ALOX5MLYCDCA12CA9HPGD
SCHEMBL2983754 0.85 ALOX5 (0.57) ALOX5MLYCDCA12CA9HPGD
SCHEMBL2981087 0.82 ALOX5 (0.58) ALOX5MLYCDCA12CA9HPGD
SCHEMBL2989755 0.82 MLYCD (0.51) ALOX5MLYCDCA12CA9KDM4E
SCHEMBL2989905 0.80 ALOX5 (0.39) ALOX5MLYCDCA12CA9HPGD
SCHEMBL5960163 0.79 ALOX5 (0.36) ALOX5PTGS2PTGS1MLYCD
SCHEMBL2979312 0.78 ALOX5 (0.41) ALOX5MLYCDCA12CA9LMNA
SCHEMBL2981030 0.69 MLYCD (0.51) ALOX5MLYCDCA12CA9HPGD
SCHEMBL2979651 0.69 MLYCD (0.49) ALOX5MLYCDCA12CA9HPGD
SCHEMBL2986642 0.69 ALOX5 (0.51) ALOX5MLYCDCA12CA9HPGD

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 3 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

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 ALOX5 17/4885PTGS2 10/4885PTGS1 7/4885
US-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 ALOX5 17/4885PTGS2 12/4885PTGS1 5/4885

“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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