SCHEMBL3409684

SCHEMBL3409684

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCCC(=O)N2CCC(CNC(=O)c3ccncc3)(N3CCN(C)CC3)CC2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
HCN1 O60741 4/20 0.39
GAA P10253 1/20 0.37
BDKRB1 P46663 4/20 0.36
LMNA P02545 3/20 0.35
THRB P10828 2/20 0.35
HCN4 Q9Y3Q4 1/20 0.35
RAB9A P51151 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
SCHEMBL3408994 0.94 TP53 (0.45) TP53MEN1KMT2ANPC1HCN1
SCHEMBL3406395 0.90 TP53 (0.44) TP53MEN1KMT2ANPC1HCN1
SCHEMBL3405241 0.87 TP53 (0.46) TP53MEN1KMT2ANPC1HCN1
SCHEMBL3402965 0.86 TP53 (0.41) TP53MEN1KMT2ANPC1HCN1
SCHEMBL2830561 0.84 TP53 (0.42) TP53MEN1KMT2ANPC1HCN1
SCHEMBL3403262 0.83 TP53 (0.39) TP53NPC1HCN1GAABDKRB1
SCHEMBL3406194 0.82 BDKRB1 (0.43) TP53NPC1BDKRB1LMNATHRB
SCHEMBL2839458 0.82 TP53 (0.42) TP53MEN1KMT2ANPC1HCN1
SCHEMBL3405299 0.81 CYP3A4 (0.39) NPC1BDKRB1
SCHEMBL3406950 0.79 MAPT (0.43) TP53HCN1BDKRB1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US claimed
EP-2254867-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal Gmbh (DE) 2010-12-01 EP claimed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US claimed
WO-2009109364-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-11 WO claimed
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
EP-2254867-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal Gmbh (DE) 2010-12-01 EP disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US disclosed
WO-2009109364-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-11 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-20090298812-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 TP53 4231/4885MEN1 2196/4885KMT2A 2506/4885

“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.