SCHEMBL5128261

SCHEMBL5128261

COc1cc(C)c(S(=O)(=O)N2CCN(CCOCC(=O)O)CC2)c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 3/20 0.46
AVPR1A P37288 6/20 0.44
AVPR1B P47901 5/20 0.44
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.42
BDKRB1 P46663 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC29A1 Q99808 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
SCHEMBL5131959 0.84 EPHX2 (0.53) EPHX2BDKRB1
SCHEMBL5093036 0.82 ALDH1A1 (0.50) EPHX2ALDH1A1AVPR1AAVPR1BMAPK1
SCHEMBL3808475 0.80 AVPR1B (0.44) EPHX2ALDH1A1AVPR1AAVPR1BMAPT
SCHEMBL5123711 0.78 EPHX2 (0.53) EPHX2AVPR1AAVPR1BMAPK1
SCHEMBL5127113 0.77 ALDH1A1 (0.43) EPHX2ALDH1A1BDKRB1
SCHEMBL5121958 0.77 BDKRB1 (0.41) EPHX2AVPR1AAVPR1BMAPK1HSD17B10
SCHEMBL492678 0.76 AVPR1A (0.43) EPHX2ALDH1A1AVPR1AAVPR1BMAPK1
SCHEMBL4753169 0.76 ALDH1A1 (0.71) ALDH1A1MAPTKDM4E
SCHEMBL493810 0.75 AVPR1A (0.42) EPHX2AVPR1AAVPR1B
SCHEMBL5125598 0.74 EPHX2 (0.49) EPHX2AVPR1AAVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 EPHX2 1287/4885ALDH1A1 2737/4885AVPR1A 23/4885

“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.