SCHEMBL3824549

SCHEMBL3824549

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.41
CYP46A1 Q9Y6A2 1/20 0.39
BDKRB1 P46663 2/20 0.37
AVPR1A P37288 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
TACR1 P25103 1/20 0.36

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
SCHEMBL5132136 0.92 CYP46A1 (0.42) FKBP1ACYP46A1BDKRB1AVPR1ARAB9A
SCHEMBL5125427 0.90 CYP46A1 (0.42) CYP46A1BDKRB1AVPR1ARAB9A
SCHEMBL5131979 0.89 HSD11B1 (0.40) FKBP1ABDKRB1RAB9ANPC1
SCHEMBL5132192 0.86 EPHX2 (0.40) FKBP1ACYP46A1AVPR1AMEN1KMT2A
SCHEMBL3406117 0.84 BDKRB1 (0.44) FKBP1ABDKRB1
SCHEMBL5131924 0.83 MEN1 (0.42) BDKRB1MEN1POLBKMT2A
SCHEMBL5131373 0.83 BDKRB1 (0.37) BDKRB1
SCHEMBL3409325 0.81 CASP3 (0.41) FKBP1ABDKRB1RAB9ANPC1
SCHEMBL5127947 0.81 BDKRB1 (0.42) BDKRB1RAB9ANPC1
SCHEMBL5131956 0.81 FKBP1A (0.47) FKBP1ACYP46A1RAB9ANPC1MEN1

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 FKBP1A 1510/4885CYP46A1 3216/4885BDKRB1 1/4885

“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.