SCHEMBL3453940

SCHEMBL3453940

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCc3nc(Cc4ccncc4)sc3C2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL4353058 0.91 NPC1 (0.42) BDKRB1NPC1RAB9ALMNA
SCHEMBL4346913 0.91 NPC1 (0.34) BDKRB1NPC1RAB9ALMNAUSP2
SCHEMBL4347391 0.89 NPC1 (0.33) BDKRB1NPC1RAB9ALMNAUSP2
SCHEMBL3454336 0.88 BDKRB1 (0.38) BDKRB1
SCHEMBL3454338 0.88 BDKRB1 (0.38) BDKRB1
SCHEMBL2752668 0.81 BDKRB1 (0.35) BDKRB1
SCHEMBL4350906 0.81 NPC1 (0.44) NPC1RAB9ALMNAUSP2ALDH1A1
SCHEMBL2753424 0.81 BDKRB1 (0.36) BDKRB1
SCHEMBL4352427 0.81 BDKRB1 (0.53) BDKRB1
SCHEMBL2569704 0.80 BDKRB1 (0.41) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US claimed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US claimed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
EP-2260043-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal Gmbh (DE) 2010-12-15 EP disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
WO-2009124746-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 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-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 BDKRB1 2/4885NPC1 2411/4885RAB9A 3216/4885

“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.