SCHEMBL4353058

SCHEMBL4353058

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCc3nc(-c4ccncc4)sc3C2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
BDKRB1 P46663 12/20 0.37
DPP4 P27487 4/20 0.36
DPP8 Q6V1X1 4/20 0.36
DPP9 Q86TI2 4/20 0.36
DPP7 Q9UHL4 4/20 0.36
SPR P35270 1/20 0.34
ROCK2 O75116 1/20 0.34
LMNA P02545 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
SCHEMBL3453940 0.91 BDKRB1 (0.36) NPC1RAB9ABDKRB1LMNA
SCHEMBL4350906 0.90 NPC1 (0.44) NPC1RAB9ADPP4DPP8DPP9
SCHEMBL3455228 0.89 NPC1 (0.42) NPC1RAB9ADPP4DPP8DPP9
SCHEMBL3454336 0.85 BDKRB1 (0.38) BDKRB1
SCHEMBL3454338 0.85 BDKRB1 (0.38) BDKRB1
SCHEMBL3454476 0.81 BDKRB1 (0.37) BDKRB1LMNA
SCHEMBL2569704 0.81 BDKRB1 (0.41) BDKRB1
SCHEMBL4346913 0.81 NPC1 (0.34) NPC1RAB9ABDKRB1ROCK2LMNA
Hydrochloric Acid SCHEMBL2568982 0.81 BDKRB1 (0.41) BDKRB1
SCHEMBL2753276 0.81 BDKRB1 (0.36) NPC1RAB9ABDKRB1

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-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
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 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-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 NPC1 2411/4885RAB9A 3216/4885BDKRB1 2/4885

“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.