SCHEMBL4086349

SCHEMBL4086349

CCC1c2ccc(CN(C)C)n2CCN1C(=O)COCCN(CC(C)C)S(=O)(=O)c1c(C)cc(OC)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.39
SHMT2 P34897 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 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
SCHEMBL4080772 0.93 BDKRB1 (0.38) BDKRB1
SCHEMBL4090950 0.92 AVPR1B (0.37) BDKRB1
SCHEMBL4084631 0.91 SHMT2 (0.42) BDKRB1SHMT2ALDH1A1MAPTMEN1
SCHEMBL4095402 0.90 AVPR1B (0.36) BDKRB1
SCHEMBL4095908 0.89 BDKRB1 (0.36) BDKRB1
SCHEMBL4081145 0.86 BDKRB1 (0.35) BDKRB1MEN1KMT2A
SCHEMBL4080710 0.85 AVPR1A (0.38) BDKRB1ALDH1A1
SCHEMBL4080766 0.84 BDKRB1 (0.38) BDKRB1
SCHEMBL4083942 0.83 AVPR1A (0.38) BDKRB1ALDH1A1
SCHEMBL4081249 0.83 AVPR1A (0.37) BDKRB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BDKRB1 1/4885SHMT2 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.