SCHEMBL4085813

SCHEMBL4085813

CCC1c2ccc(CN(C)C)n2CCN1C(=O)CCCN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(OC)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.40
AVPR1B P47901 6/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.37
BMP1 P13497 2/20 0.35
MMP8 P22894 2/20 0.35
SHMT2 P34897 1/20 0.34

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
SCHEMBL4080710 0.86 AVPR1A (0.38) AVPR1AAVPR1BALDH1A1LMNAHTT
SCHEMBL4083942 0.86 AVPR1A (0.38) AVPR1AAVPR1BALDH1A1LMNAHTT
SCHEMBL4081249 0.84 AVPR1A (0.37) AVPR1AAVPR1BALDH1A1LMNAHTT
SCHEMBL4080678 0.82 BDKRB1 (0.45) SHMT2
SCHEMBL4086349 0.81 BDKRB1 (0.39) ALDH1A1MEN1MAPTALOX15CASP1
SCHEMBL4081207 0.80 BDKRB1 (0.42) AVPR1AAVPR1B
SCHEMBL4090950 0.80 AVPR1B (0.37) AVPR1AAVPR1BBMP1MMP8
SCHEMBL4095402 0.78 AVPR1B (0.36) AVPR1AAVPR1BBMP1MMP8
SCHEMBL4084369 0.78 AVPR1A (0.37) AVPR1AAVPR1BALDH1A1LMNAHTT
SCHEMBL4081215 0.77 BDKRB1 (0.45)

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 63/4885AVPR1B 64/4885ALDH1A1 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.