SCHEMBL4090935

SCHEMBL4090935

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)N2CCn3cccc3C2C)Cc2ccccc2)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.40
SHMT2 P34897 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.37
AVPR1B P47901 5/20 0.36
BDKRB1 P46663 2/20 0.36
F2 P00734 1/20 0.35
BMP1 P13497 2/20 0.35
MMP8 P22894 2/20 0.35

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
SCHEMBL4085935 0.91 AVPR1A (0.39) AVPR1AALDH1A1HTTLMNAAVPR1B
SCHEMBL4080787 0.90 BDKRB1 (0.45) BDKRB1
SCHEMBL4084780 0.90 AVPR1A (0.39) AVPR1AALDH1A1HTTLMNAAVPR1B
SCHEMBL4087367 0.88 BDKRB1 (0.46) SHMT2BDKRB1
SCHEMBL4096084 0.87 MAPT (0.44) AVPR1AALDH1A1HTT
SCHEMBL4095023 0.85 AVPR1A (0.37) AVPR1AALDH1A1HTTLMNAAVPR1B
SCHEMBL4081206 0.82 ALDH1A1 (0.37) AVPR1AALDH1A1AVPR1BBDKRB1BMP1
SCHEMBL4091706 0.81 BDKRB1 (0.44) ALDH1A1BDKRB1
SCHEMBL4091714 0.81 BDKRB1 (0.45) BDKRB1
SCHEMBL4085888 0.81 BDKRB1 (0.43) AVPR1BBDKRB1

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 AVPR1A 63/4885SHMT2 4387/4885ALDH1A1 3693/4885

“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.