SCHEMBL3406342

SCHEMBL3406342

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)NC2CCC(c3ccccc3)(N3CCCC3)CC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPY1R P25929 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPC1 O15118 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP2 P42575 1/20 0.34
CASP4 P49662 1/20 0.34
CASP7 P55210 1/20 0.34
CASP9 P55211 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 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
SCHEMBL3410511 0.98 NPY1R (0.38) RAB9ANPY1RKCNH2NPC1SIGMAR1
SCHEMBL3411158 0.94 ATM (0.37) RAB9ANPY1RKCNH2NPC1SIGMAR1
SCHEMBL3405474 0.94 ATM (0.39) RAB9ANPY1RKCNH2NPC1SIGMAR1
SCHEMBL3407412 0.88 SIGMAR1 (0.38) RAB9ANPC1SIGMAR1ALDH1A1LMNA
SCHEMBL3412777 0.87 NPY1R (0.39) RAB9ANPY1RKCNH2SIGMAR1ALDH1A1
SCHEMBL3407308 0.87 SIGMAR1 (0.38) RAB9ANPC1SIGMAR1ALDH1A1LMNA
SCHEMBL3406843 0.85 SMN1; SMN2 (0.38) RAB9ASIGMAR1ALDH1A1LMNAGAA
SCHEMBL3413016 0.84 RAB9A (0.39) RAB9ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL3412820 0.84 SMN1; SMN2 (0.40) RAB9ASIGMAR1ALDH1A1LMNAGAA
SCHEMBL3411038 0.84 RAB9A (0.37) RAB9ANPY1RKCNH2NPC1ALDH1A1

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
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP claimed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US claimed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO claimed
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 RAB9A 2485/4885NPY1R 2175/4885KCNH2 1264/4885

“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.