SCHEMBL3828071

SCHEMBL3828071

O=C(COC1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1)N1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
ACLY P53396 2/20 0.42
CYP46A1 Q9Y6A2 1/20 0.41
CNR1 P21554 2/20 0.41
PKLR P30613 4/20 0.41
FPR2 P25090 3/20 0.41
PROKR1 Q8TCW9 3/20 0.41
GRIN2B Q13224 1/20 0.39
TACR1 P25103 2/20 0.39
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5126115 0.95 EPHX2 (0.43) EPHX2ACLYCYP46A1CNR1PKLR
SCHEMBL3828231 0.88 CCR1 (0.46) EPHX2ACLYCNR1
SCHEMBL5121390 0.88 PKLR (0.49) EPHX2CYP46A1PKLRTACR1ALDH1A1
SCHEMBL5131185 0.87 ACLY (0.45) EPHX2ACLYCYP46A1CNR1PKLR
SCHEMBL5131355 0.86 AVPR1A (0.46) CYP46A1PKLRALDH1A1PKMSMN1; SMN2
SCHEMBL5132135 0.83 CCR1 (0.51) CNR1ALDH1A1
SCHEMBL5125142 0.82 AVPR1A (0.48) ALDH1A1PKMSMN1; SMN2
SCHEMBL5128879 0.82 GAA (0.49) CYP46A1GRIN2BALDH1A1PKMSMN1; SMN2
SCHEMBL5131447 0.82 PKM (0.46) CYP46A1PKLRGRIN2BALDH1A1PKM
SCHEMBL5131253 0.82 CNR1 (0.40) ACLYCNR1ALDH1A1PKMSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086935-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2009-08-12 EP claimed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US claimed
WO-2008046573-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2008-04-24 WO claimed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 EPHX2 1287/4885ACLY 4105/4885CYP46A1 3216/4885

“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.