SCHEMBL3408745

SCHEMBL3408745

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NC3CCC(Cc4ccccc4)(N4CCCC4)CC3)C2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.39
EBP Q15125 1/20 0.38
DHCR7 Q9UBM7 1/20 0.38
EPHX2 P34913 2/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
BDKRB1 P46663 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MCHR1 Q99705 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 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
SCHEMBL3412454 0.99 SIGMAR1 (0.38) SIGMAR1EBPDHCR7EPHX2LMNA
SCHEMBL3407316 0.96 SIGMAR1 (0.38) SIGMAR1EBPDHCR7EPHX2LMNA
SCHEMBL3411047 0.91 ATM (0.38) SIGMAR1EBPDHCR7LMNAALDH1A1
SCHEMBL3412453 0.88 NPY1R (0.38) SIGMAR1EBPDHCR7EPHX2LMNA
SCHEMBL3412459 0.87 NPY1R (0.39) SIGMAR1EBPDHCR7EPHX2LMNA
SCHEMBL3412743 0.87 SIGMAR1 (0.38) SIGMAR1EBPDHCR7EPHX2LMNA
SCHEMBL3407483 0.84 LMNA (0.39) SIGMAR1LMNAALDH1A1GAATSHR
SCHEMBL3410467 0.84 EPHX2 (0.40) SIGMAR1EBPDHCR7EPHX2ALDH1A1
SCHEMBL3407308 0.82 SIGMAR1 (0.38) SIGMAR1LMNAALDH1A1GAAMAPT
SCHEMBL3407412 0.82 SIGMAR1 (0.38) SIGMAR1LMNAALDH1A1GAATSHR

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 1349/4885EBP 3597/4885DHCR7 2492/4885

“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.