SCHEMBL629539

SCHEMBL629539

COC(=O)CN(c1cc2cc(OC)c(=O)oc2cc1OCc1ccccc1)S(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
ALDH1A1 P00352 2/20 0.44
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
BCHE P06276 3/20 0.41
ACHE P22303 3/20 0.41
MAPK1 P28482 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL629630 0.85 ALDH1A1 (0.39) MAOBALDH1A1KEAP1NFE2L2BCHE
SCHEMBL3918404 0.76 ALDH1A1 (0.52) ALDH1A1KEAP1NFE2L2
SCHEMBL3917977 0.76 KEAP1 (0.50) ALDH1A1KEAP1NFE2L2
SCHEMBL646518 0.76 ALDH1A1 (0.54) ALDH1A1KEAP1NFE2L2
SCHEMBL630512 0.76 ACHE (0.49) MAOBBCHEACHEMAOA
SCHEMBL3917277 0.75 ALDH1A1 (0.48) ALDH1A1KEAP1NFE2L2
SCHEMBL4956387 0.75 ALDH1A1 (0.53) ALDH1A1KEAP1NFE2L2MAPK1
SCHEMBL629617 0.75 MAOB (0.49) MAOBBCHEACHE
SCHEMBL28576993 0.74 ALDH1A1 (0.44) ALDH1A1KEAP1NFE2L2MAPK1
SCHEMBL27737966 0.74 ALDH1A1 (0.47) ALDH1A1KEAP1NFE2L2ACHE

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 MAOB 1091/4885ALDH1A1 2690/4885KEAP1 1341/4885

“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.