SCHEMBL243889

SCHEMBL243889

CS(=O)(=O)OC(N)c1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.46
▸ CA2 P00918 2/20 0.45
▸ AOC3 Q16853 2/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ DAO P14920 2/20 0.36

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
SCHEMBL3229357 0.73 ALOX5 (0.55) ALOX5CA2AOC3KDM4ELMNA
SCHEMBL10722048 0.73 CA2 (0.53) ALOX5CA2AOC3KDM4ELMNA
SCHEMBL3478429 0.71 ALOX5 (0.53) ALOX5AOC3KDM4ELMNATP53
Hydrochloric Acid SCHEMBL30585842 0.71 AOC3 (0.40) ALOX5CA2AOC3KDM4ELMNA
SCHEMBL23468379 0.70 ALOX5 (0.51) ALOX5CA2AOC3KDM4ELMNA
SCHEMBL3663172 0.70 ALOX5 (0.55) ALOX5CA2AOC3KDM4ELMNA
SCHEMBL5049788 0.70 AOC3 (0.50) ALOX5CA2AOC3KDM4ELMNA
SCHEMBL10821148 0.69 ALOX5 (0.48) ALOX5CA2AOC3KDM4ELMNA
SCHEMBL336690 0.69 ALOX5 (0.54) ALOX5CA2AOC3KDM4ELMNA
SCHEMBL4985929 0.69 ALOX5 (0.54) ALOX5CA2AOC3KDM4ELMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 — — US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 — — US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 — — US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 — — 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-20100233116-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 ALOX5 172/4885CA2 2523/4885AOC3 1175/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 ALOX5 98/4885CA2 1689/4885AOC3 1151/4885

“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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