SCHEMBL2983754

SCHEMBL2983754

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 8/20 0.57
▸ MLYCD O95822 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ HPGD P15428 4/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NOD2 Q9HC29 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ USP2 O75604 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
SCHEMBL2986642 0.85 ALOX5 (0.51) ALOX5MLYCDCA12CA9HPGD
SCHEMBL2989918 0.85 ALOX5 (0.57) ALOX5MLYCDCA12CA9HPGD
SCHEMBL2981087 0.82 ALOX5 (0.58) ALOX5MLYCDCA12CA9HPGD
SCHEMBL5005112 0.82 ALOX5 (0.48) ALOX5MLYCDCA12CA9LMNA
SCHEMBL2984808 0.82 ALOX5 (0.48) ALOX5MLYCDCA12CA9LMNA
SCHEMBL2985984 0.80 ALOX5 (0.39) ALOX5MLYCDCA12CA9HPGD
SCHEMBL5960129 0.78 ALOX5 (0.35) ALOX5
SCHEMBL2986061 0.78 ALOX5 (0.41) ALOX5MLYCDCA12CA9HPGD
SCHEMBL2981030 0.69 MLYCD (0.51) ALOX5MLYCDCA12CA9HPGD
SCHEMBL2981042 0.69 MLYCD (0.44) 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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 ALOX5 17/4885MLYCD 2597/4885CA12 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.

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