SCHEMBL3412459

SCHEMBL3412459

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NC3CCC(c4ccccc4)(N4CCCCC4)CC3)C2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.39
KCNH2 Q12809 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
EPHX2 P34913 5/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
BDKRB1 P46663 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PKM P14618 1/20 0.36
EBP Q15125 1/20 0.35
DHCR7 Q9UBM7 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
SCHEMBL3412453 0.99 NPY1R (0.38) NPY1RKCNH2TDP1ALDH1A1LMNA
SCHEMBL3407483 0.95 LMNA (0.39) NPY1RKCNH2TDP1ALDH1A1LMNA
SCHEMBL3412454 0.88 SIGMAR1 (0.38) TDP1ALDH1A1LMNAGAAKMT2A
SCHEMBL3408745 0.87 SIGMAR1 (0.39) TDP1ALDH1A1LMNAGAAKMT2A
SCHEMBL3412777 0.86 NPY1R (0.39) NPY1RKCNH2TDP1ALDH1A1LMNA
SCHEMBL3412330 0.85 SMN1; SMN2 (0.40) TDP1ALDH1A1LMNAGAAKMT2A
SCHEMBL3407316 0.84 SIGMAR1 (0.38) TDP1ALDH1A1LMNAGAAKMT2A
SCHEMBL3407479 0.83 SMN1; SMN2 (0.38) TDP1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL3410467 0.81 EPHX2 (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL494103 0.81 EPHX2 (0.40) TDP1ALDH1A1LMNAGAAKMT2A

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 NPY1R 2175/4885KCNH2 1264/4885TDP1 4089/4885

“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.