SCHEMBL2929302

SCHEMBL2929302

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)N2CCn3ccnc3C2)Cc2ccccc2)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
AVPR1A P37288 4/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 2/20 0.39
BDKRB1 P46663 6/20 0.38
AVPR1B P47901 3/20 0.38
BMP1 P13497 2/20 0.37
MMP8 P22894 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 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
SCHEMBL2933703 0.90 BDKRB1 (0.48) ALDH1A1BDKRB1HPGD
SCHEMBL4090784 0.87 BDKRB1 (0.39) BDKRB1BMP1MMP8
SCHEMBL3818355 0.80 ALDH1A1 (0.44) ALDH1A1AVPR1ALMNAHTTBDKRB1
SCHEMBL493668 0.79 AVPR1A (0.45) ALDH1A1AVPR1AAVPR1B
SCHEMBL4090935 0.79 AVPR1A (0.40) ALDH1A1AVPR1ALMNAHTTBDKRB1
SCHEMBL4085935 0.77 AVPR1A (0.39) ALDH1A1AVPR1ALMNAHTTBDKRB1
SCHEMBL4096084 0.77 MAPT (0.44) ALDH1A1AVPR1AHTTKDM4E
SCHEMBL4084780 0.77 AVPR1A (0.39) ALDH1A1AVPR1ALMNAHTTBDKRB1
SCHEMBL12317319 0.76 TAS2R14 (0.43) ALDH1A1AVPR1ALMNAHTTAVPR1B
SCHEMBL4086137 0.76 BDKRB1 (0.64) BDKRB1

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-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US claimed
EP-2229395-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-09-22 EP claimed
WO-2009090054-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-07-23 WO claimed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US claimed
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
EP-2229395-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-09-22 EP disclosed
WO-2009090054-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-07-23 WO disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 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-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 ALDH1A1 3693/4885AVPR1A 63/4885LMNA 1162/4885

“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.