SCHEMBL4344802

SCHEMBL4344802

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCc3onc(CN4CCCCC4)c3C2c2ccccc2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BDKRB1 P46663 7/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 1/20 0.32
CPT1A P50416 2/20 0.32
CPT2 P23786 1/20 0.31
FKBP1A P62942 1/20 0.31
DAGLB Q8NCG7 2/20 0.30

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
SCHEMBL4348366 0.82 BDKRB1 (0.38) BDKRB1
SCHEMBL2752982 0.81 MEN1 (0.35) MEN1KMT2ABDKRB1RAB9ANPC1
SCHEMBL2751906 0.80 MEN1 (0.36) MEN1KMT2ABDKRB1RAB9ANPC1
SCHEMBL3453684 0.79 LHCGR (0.49)
SCHEMBL3454487 0.78 BDKRB1 (0.37) BDKRB1
SCHEMBL2752454 0.78 MAPT (0.38) MEN1KMT2ABDKRB1RAB9ANPC1
SCHEMBL2752849 0.77 TSHR (0.34) MEN1KMT2ABDKRB1RAB9ANPC1
SCHEMBL2569329 0.75 ALDH1A1 (0.44) BDKRB1
SCHEMBL2568078 0.75 RAB9A (0.42) MEN1KMT2ABDKRB1RAB9ANPC1
SCHEMBL2564181 0.75 HRH3 (0.42) BDKRB1NPC1

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 9 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-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
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
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US 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 MEN1 2629/4885KMT2A 3136/4885BDKRB1 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.