SCHEMBL3818355

SCHEMBL3818355

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)N2CCC(O)(Cc3ccccc3)CC2)Cc2ccccc2)c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
BDKRB1 P46663 13/20 0.42
AVPR1A P37288 3/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3810927 0.94 BDKRB1 (0.43) ALDH1A1HTTLMNABDKRB1AVPR1A
SCHEMBL5132070 0.92 BDKRB1 (0.42) ALDH1A1HTTLMNABDKRB1
SCHEMBL5127801 0.91 BDKRB1 (0.44) ALDH1A1HTTBDKRB1
SCHEMBL493668 0.82 AVPR1A (0.45) ALDH1A1AVPR1A
SCHEMBL3808475 0.81 AVPR1B (0.44) ALDH1A1BDKRB1AVPR1A
SCHEMBL3810909 0.81 EPHX2 (0.44) ALDH1A1BDKRB1AVPR1A
SCHEMBL5128264 0.80 BDKRB1 (0.45) BDKRB1
SCHEMBL2929302 0.80 ALDH1A1 (0.40) ALDH1A1HTTLMNABDKRB1AVPR1A
SCHEMBL12317319 0.78 TAS2R14 (0.43) ALDH1A1HTTLMNAAVPR1A
SCHEMBL5128598 0.77 MEN1 (0.50) ALDH1A1LMNABDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US claimed
EP-2086935-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2009-08-12 EP claimed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US claimed
WO-2008046573-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2008-04-24 WO claimed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
EP-2086935-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2009-08-12 EP disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
WO-2008046573-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2008-04-24 WO 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 ALDH1A1 2737/4885HTT 1828/4885LMNA 1324/4885

“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.