SCHEMBL3407308

SCHEMBL3407308

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)NC2CCC(Cc3ccccc3)(N3CCCC3)CC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.38
FKBP1A P62942 2/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 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
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3407412 0.99 SIGMAR1 (0.38) SIGMAR1FKBP1ARAB9ANPC1LMNA
SCHEMBL3410268 0.95 ATM (0.38) SIGMAR1FKBP1ARAB9ANPC1LMNA
SCHEMBL3406355 0.93 ATM (0.37) SIGMAR1RAB9ALMNAMAPT
SCHEMBL3410511 0.88 NPY1R (0.38) SIGMAR1FKBP1ARAB9ANPC1LMNA
SCHEMBL3406342 0.87 RAB9A (0.39) SIGMAR1RAB9ANPC1LMNAALDH1A1
SCHEMBL3412743 0.86 SIGMAR1 (0.38) SIGMAR1RAB9ALMNAALDH1A1GAA
SCHEMBL3408670 0.86 SMN1; SMN2 (0.39) SIGMAR1FKBP1ARAB9ALMNAALDH1A1
SCHEMBL3408488 0.85 FKBP1A (0.36) FKBP1ARAB9ANPC1
SCHEMBL3409762 0.84 L3MBTL1 (0.38) SIGMAR1RAB9ALMNAALDH1A1GAA
SCHEMBL3412504 0.84 BDKRB1 (0.43) FKBP1A

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 SIGMAR1 1349/4885FKBP1A 891/4885RAB9A 2485/4885

“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.