SCHEMBL5132136

SCHEMBL5132136

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.42
BDKRB1 P46663 11/20 0.41
FKBP1A P62942 2/20 0.40
AVPR1A P37288 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL5125427 0.98 CYP46A1 (0.42) CYP46A1BDKRB1AVPR1ARAB9A
SCHEMBL5132192 0.94 EPHX2 (0.40) CYP46A1FKBP1AAVPR1A
SCHEMBL3824549 0.92 FKBP1A (0.41) CYP46A1BDKRB1FKBP1AAVPR1ANPC1
SCHEMBL3406117 0.91 BDKRB1 (0.44) BDKRB1FKBP1A
SCHEMBL5131956 0.89 FKBP1A (0.47) CYP46A1FKBP1ANPC1RAB9A
SCHEMBL5127947 0.89 BDKRB1 (0.42) BDKRB1NPC1RAB9A
SCHEMBL3412504 0.88 BDKRB1 (0.43) BDKRB1FKBP1A
SCHEMBL3408443 0.88 BDKRB1 (0.43) BDKRB1FKBP1A
SCHEMBL5132117 0.87 CYP46A1 (0.44) CYP46A1FKBP1ANPC1RAB9A
SCHEMBL14411693 0.86 BDKRB1 (0.43) BDKRB1RAB9A

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 3 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
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 CYP46A1 3216/4885BDKRB1 1/4885FKBP1A 1510/4885

“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.