SCHEMBL4094972

SCHEMBL4094972

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)N2CCn3c(CN4CCOCC4)ccc3C2c2ccccc2)CC(C)C)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 4/20 0.37
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
BDKRB1 P46663 6/20 0.33
BMP1 P13497 1/20 0.32
MMP8 P22894 1/20 0.32
AVPR1A P37288 4/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
OPRK1 P41145 1/20 0.32
UTS2R Q9UKP6 1/20 0.32
EP300 Q09472 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL4081018 0.94 AVPR1B (0.34) AVPR1BALDH1A1BDKRB1AVPR1A
SCHEMBL4097137 0.94 AVPR1B (0.34) AVPR1BALDH1A1BDKRB1AVPR1A
SCHEMBL4095950 0.92 ALDH1A1 (0.40) AVPR1BALDH1A1HTTBDKRB1BMP1
SCHEMBL4085270 0.91 BDKRB1 (0.40) AVPR1BBDKRB1
SCHEMBL4095908 0.89 BDKRB1 (0.36) AVPR1BBDKRB1BMP1MMP8AVPR1A
SCHEMBL4085073 0.86 AVPR1A (0.38) AVPR1BALDH1A1HTTBDKRB1BMP1
SCHEMBL4086367 0.84 BDKRB1 (0.41) AVPR1BBDKRB1
SCHEMBL4081206 0.83 ALDH1A1 (0.37) AVPR1BALDH1A1BDKRB1BMP1MMP8
SCHEMBL4086369 0.81 BDKRB1 (0.41) BDKRB1
SCHEMBL4091275 0.80 PKM (0.37) 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 4 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
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
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 AVPR1B 64/4885ALDH1A1 3693/4885HTT 3626/4885

“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.