SCHEMBL3405474

SCHEMBL3405474

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)NC2CCC(c3ccccc3)(N3CCOCC3)CC2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
RAB9A P51151 3/20 0.35
NPC1 O15118 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
NPY1R P25929 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR2 P34972 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL3411158 0.98 ATM (0.37) ATMRAB9ANPC1MEN1KMT2A
SCHEMBL3410511 0.95 NPY1R (0.38) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL3406342 0.94 RAB9A (0.39) RAB9ANPC1ALDH1A1LMNAGAA
SCHEMBL3411038 0.90 RAB9A (0.37) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL3410268 0.89 ATM (0.38) ATMRAB9ANPC1MEN1KMT2A
SCHEMBL3413016 0.88 RAB9A (0.39) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL3406355 0.87 ATM (0.37) ATMRAB9AMEN1KMT2ALMNA
SCHEMBL3409691 0.84 KMT2A (0.37) ATMMEN1KMT2AALDH1A1LMNA
SCHEMBL3407308 0.84 SIGMAR1 (0.38) RAB9ANPC1ALDH1A1LMNAGAA
SCHEMBL493818 0.83 ATM (0.38) ATMRAB9ANPC1MEN1KMT2A

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 ATM 2938/4885RAB9A 2485/4885NPC1 2399/4885

“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.