SCHEMBL629630

SCHEMBL629630

COC(=O)CN(c1cc2cc(OC)c(=O)oc2cc1OCc1ccccc1)S(=O)(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAOB P27338 3/20 0.38
MAPK1 P28482 1/20 0.38
BCHE P06276 5/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CNR2 P34972 1/20 0.37
ACHE P22303 4/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 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
SCHEMBL629539 0.85 MAOB (0.45) ALDH1A1MAOBMAPK1BCHEKEAP1
SCHEMBL28578328 0.83 ALDH1A1 (0.40) ALDH1A1MAPK1KEAP1NFE2L2ACHE
SCHEMBL648387 0.79 KEAP1 (0.48) ALDH1A1KEAP1NFE2L2CA12CA1
SCHEMBL3920448 0.79 KEAP1 (0.44) ALDH1A1KEAP1NFE2L2CA12CA1
SCHEMBL4957519 0.78 ALDH1A1 (0.47) ALDH1A1MAPK1KEAP1NFE2L2ACHE
SCHEMBL2893397 0.76 ALDH1A1 (0.44) ALDH1A1MAPK1KEAP1NFE2L2CA12
SCHEMBL646673 0.76 CA12 (0.43) ALDH1A1KEAP1NFE2L2CA12CA1
SCHEMBL28915594 0.76 ALDH1A1 (0.38) ALDH1A1MAPK1KEAP1NFE2L2ACHE
SCHEMBL2889117 0.75 ALDH1A1 (0.45) ALDH1A1MAPK1KEAP1NFE2L2ACHE
SCHEMBL29626447 0.75 ALDH1A1 (0.43) ALDH1A1MAPK1KEAP1NFE2L2CA12

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
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC ALDH1A1 2690/4885MAOB 1091/4885MAPK1 800/4885

“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.