SCHEMBL3407316

SCHEMBL3407316

COc1cc(C)c(S(=O)(=O)N2CCCC(OCC(=O)NC3CCC(Cc4ccccc4)(N4CCCC4)CC3)C2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
POLB P06746 3/20 0.38
EBP Q15125 1/20 0.38
DHCR7 Q9UBM7 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.36
BDKRB1 P46663 1/20 0.35
MAPT P10636 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
SCHEMBL3408745 0.96 SIGMAR1 (0.39) SIGMAR1ALDH1A1LMNAGAAEBP
SCHEMBL3412454 0.96 SIGMAR1 (0.38) SIGMAR1ALDH1A1LMNAGAAPOLB
SCHEMBL3411047 0.94 ATM (0.38) SIGMAR1ALDH1A1LMNAGAAPOLB
SCHEMBL3412743 0.89 SIGMAR1 (0.38) SIGMAR1ALDH1A1LMNAGAAPOLB
SCHEMBL3407483 0.88 LMNA (0.39) SIGMAR1ALDH1A1LMNAGAAPOLB
SCHEMBL3412453 0.84 NPY1R (0.38) SIGMAR1ALDH1A1LMNAGAAPOLB
SCHEMBL3412459 0.84 NPY1R (0.39) SIGMAR1ALDH1A1LMNAGAAPOLB
SCHEMBL3407412 0.83 SIGMAR1 (0.38) SIGMAR1ALDH1A1LMNAGAARAB9A
SCHEMBL3407308 0.81 SIGMAR1 (0.38) SIGMAR1ALDH1A1LMNAGAAPOLB
SCHEMBL493126 0.81 ALDH1A1 (0.39) SIGMAR1ALDH1A1LMNAGAAPOLB

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 1349/4885ALDH1A1 863/4885LMNA 2546/4885

“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.