SCHEMBL4095950

SCHEMBL4095950

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)N2CCn3c(CN4CCOCC4)ccc3C2c2ccccc2)Cc2ccccc2)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
AVPR1B P47901 6/20 0.39
AVPR1A P37288 6/20 0.37
EP300 Q09472 2/20 0.35
HIF1A Q16665 2/20 0.35
BMP1 P13497 2/20 0.34
MMP8 P22894 2/20 0.34
BDKRB1 P46663 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL4085073 0.94 AVPR1A (0.38) ALDH1A1HTTAVPR1BAVPR1ABMP1
SCHEMBL4094972 0.92 AVPR1B (0.37) ALDH1A1HTTAVPR1BAVPR1AEP300
SCHEMBL4085270 0.91 BDKRB1 (0.40) AVPR1BBDKRB1
SCHEMBL4081018 0.86 AVPR1B (0.34) ALDH1A1AVPR1BAVPR1ABDKRB1LMNA
SCHEMBL4090735 0.86 BDKRB1 (0.42) BDKRB1
SCHEMBL4097137 0.85 AVPR1B (0.34) ALDH1A1AVPR1BAVPR1ABDKRB1LMNA
SCHEMBL4085080 0.85 BDKRB1 (0.41) BDKRB1
SCHEMBL4086367 0.84 BDKRB1 (0.41) AVPR1BBDKRB1
SCHEMBL4095908 0.82 BDKRB1 (0.36) AVPR1BAVPR1ABMP1MMP8BDKRB1
SCHEMBL4086369 0.81 BDKRB1 (0.41) 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 ALDH1A1 3693/4885HTT 3626/4885AVPR1B 64/4885

“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.