SCHEMBL3413312

SCHEMBL3413312

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)N(C)CC3CCC(CCc4ccccc4)(N4CCN(C)CC4)CC3)C2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.36
EPHX2 P34913 2/20 0.36
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
POLB P06746 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
AVPR1B P47901 1/20 0.33
THRB P10828 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3405424 0.93 BDKRB1 (0.36) BDKRB1EPHX2CHRM5CHRM1CHRM3
SCHEMBL3409897 0.91 CHRM5 (0.36) BDKRB1CHRM5CHRM1CHRM3POLB
SCHEMBL3411054 0.89 BDKRB1 (0.37) BDKRB1EPHX2CHRM5CHRM1CHRM3
SCHEMBL3406832 0.83 BDKRB1 (0.37) BDKRB1CHRM5CHRM1CHRM3MEN1
SCHEMBL4121608 0.82 BDKRB1 (0.52) BDKRB1
SCHEMBL3411163 0.82 BDKRB1 (0.36) BDKRB1
SCHEMBL3409971 0.78 ALDH1A1 (0.35) POLBMEN1KMT2AALDH1A1THRB
SCHEMBL3409726 0.78 FKBP1A (0.35) BDKRB1
SCHEMBL3410467 0.77 EPHX2 (0.40) BDKRB1EPHX2POLBMEN1KMT2A
SCHEMBL3412119 0.77 BDKRB1 (0.49) 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-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US claimed
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 3589/4885EPHX2 2526/4885CHRM5 4335/4885

“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.