SCHEMBL4353756

SCHEMBL4353756

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCCC(=O)N2CCc3[nH]cnc3C2c2ccccc2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.38
TP53 P04637 3/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 1/20 0.36
FKBP1A P62942 2/20 0.34
CASP3 P42574 2/20 0.34
CASP7 P55210 2/20 0.34
CASP1 P29466 1/20 0.34
CASP2 P42575 1/20 0.34
CASP4 P49662 1/20 0.34
CASP9 P55211 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KIF11 P52732 2/20 0.33
BDKRB1 P46663 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL4353803 0.91 RAB9A (0.38) AOC3TP53LMNARAB9ANPC1
SCHEMBL4345307 0.90 BDKRB1 (0.38) AOC3TP53LMNARAB9ANPC1
SCHEMBL4356188 0.80 AVPR1A (0.36) AOC3TP53BDKRB1
SCHEMBL4341780 0.78 NPC1 (0.35) AOC3TP53LMNARAB9ANPC1
SCHEMBL4345303 0.78 NPC1 (0.39) AOC3TP53LMNARAB9ANPC1
SCHEMBL4348181 0.77 BDKRB1 (0.52) BDKRB1
SCHEMBL3409325 0.77 CASP3 (0.41) RAB9ANPC1FKBP1ACASP3CASP7
SCHEMBL3453684 0.76 LHCGR (0.49)
SCHEMBL4344589 0.76 KCNQ1 (0.36) AOC3CASP3CASP7CASP1CASP2
SCHEMBL4348168 0.76 BDKRB1 (0.43) AOC3BDKRB1

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 AOC3 4024/4885TP53 4352/4885LMNA 2606/4885

“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.