SCHEMBL3828007

SCHEMBL3828007

Cc1cc(S(=O)(=O)N2CCCCC2COCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c(C)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
PKLR P30613 3/20 0.39
EPHX2 P34913 1/20 0.37
BDKRB1 P46663 1/20 0.37
FKBP1A P62942 3/20 0.37
AVPR1A P37288 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP46A1 Q9Y6A2 4/20 0.36
ALDH1A1 P00352 1/20 0.36
TACR1 P25103 1/20 0.36
CYP2D6 P10635 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
SCHEMBL3822339 0.89 HCRTR1 (0.40) HCRTR1HCRTR2EPHX2BDKRB1NPC1
SCHEMBL2565014 0.87 LMNA (0.46) HCRTR1HCRTR2ALDH1A1CYP2D6
SCHEMBL5132192 0.86 EPHX2 (0.40) EPHX2FKBP1AAVPR1ACYP46A1ALDH1A1
SCHEMBL5132136 0.84 CYP46A1 (0.42) BDKRB1FKBP1AAVPR1ANPC1RAB9A
SCHEMBL5125464 0.84 PKLR (0.47) PKLRFKBP1AALDH1A1
SCHEMBL5127118 0.83 PKLR (0.42) PKLREPHX2AVPR1ACYP46A1ALDH1A1
SCHEMBL5129015 0.83 LOX (0.38) PKLREPHX2AVPR1ACYP46A1ALDH1A1
SCHEMBL5122750 0.83 AVPR1A (0.47) HCRTR1HCRTR2PKLREPHX2AVPR1A
SCHEMBL5132117 0.82 CYP46A1 (0.44) PKLRFKBP1ANPC1RAB9ACYP46A1
SCHEMBL5128172 0.82 PKLR (0.40) PKLREPHX2CYP46A1ALDH1A1TACR1

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
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US claimed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
EP-2086935-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2009-08-12 EP disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
WO-2008046573-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2008-04-24 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 HCRTR1 212/4885HCRTR2 291/4885PKLR 746/4885

“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.