SCHEMBL3824604

SCHEMBL3824604

COc1cc(C)c(S(=O)(=O)N2CCC(OCCC(=O)N3CCC(O)(Cc4ccccc4)CC3)C2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.41
GRIN2B Q13224 9/20 0.41
EPHX2 P34913 2/20 0.39
AVPR1A P37288 1/20 0.38
EBP Q15125 1/20 0.37
DHCR7 Q9UBM7 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
BDKRB1 P46663 2/20 0.37
TACR1 P25103 2/20 0.37

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
SCHEMBL3826444 0.89 HSD11B1 (0.42) GRIN2BEPHX2BDKRB1
SCHEMBL3817162 0.83 EPHX2 (0.41) CYP46A1GRIN2BEPHX2AVPR1A
SCHEMBL5131915 0.83 GRIN2B (0.42) CYP46A1GRIN2BEPHX2AVPR1AEBP
SCHEMBL5128611 0.82 DRD2 (0.37) MEN1POLBKMT2ABDKRB1
SCHEMBL3842206 0.82 MEN1 (0.46) MEN1POLBKMT2A
SCHEMBL5125343 0.81 BDKRB1 (0.39) EPHX2MEN1KMT2ABDKRB1
SCHEMBL3822483 0.80 MEN1 (0.44) GRIN2BEBPMEN1POLBKMT2A
SCHEMBL5131522 0.80 BDKRB1 (0.43) CYP46A1GRIN2BPOLBBDKRB1
SCHEMBL3824549 0.79 FKBP1A (0.41) CYP46A1AVPR1AMEN1POLBKMT2A
SCHEMBL3816477 0.78 AVPR1B (0.39) CYP46A1GRIN2BEPHX2AVPR1APOLB

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 CYP46A1 3216/4885GRIN2B 282/4885EPHX2 1287/4885

“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.