SCHEMBL4084745

SCHEMBL4084745

COc1cc(C)c(S(=O)(=O)N(C)CCOC(OC(C)=O)C(=O)OC(C)(C)C)c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.35
AVPR1B P47901 2/20 0.35
AVPR1A P37288 1/20 0.35
MMP1 P03956 2/20 0.33
BMP1 P13497 2/20 0.33
MMP8 P22894 2/20 0.33
NMT1 P30419 1/20 0.32
F2 P00734 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL4084741 0.79 BDKRB1 (0.43) BDKRB1
SCHEMBL493243 0.78 BDKRB1 (0.45) BDKRB1
SCHEMBL3440168 0.73 BDKRB1 (0.48) BDKRB1
SCHEMBL13660734 0.72 BDKRB1 (0.45) BDKRB1
SCHEMBL492920 0.72 BDKRB1 (0.47) BDKRB1
SCHEMBL493181 0.72 ALDH1A1 (0.47) BDKRB1AVPR1BAVPR1ANMT1F2
SCHEMBL3440038 0.71 AVPR1B (0.45) BDKRB1AVPR1BAVPR1AMMP1BMP1
SCHEMBL13017225 0.71 ALDH1A1 (0.41) BDKRB1AVPR1BAVPR1AMMP1BMP1
SCHEMBL3663168 0.71 NMT1 (0.44) BDKRB1AVPR1BAVPR1ANMT1F2
SCHEMBL644440 0.70 NMT1 (0.40) BDKRB1AVPR1BAVPR1AMMP1BMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BDKRB1 1/4885AVPR1B 64/4885AVPR1A 63/4885

“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.