SCHEMBL5129983

SCHEMBL5129983

COc1cc(C)c(S(=O)(=O)N2Cc3ccccc3CC2COCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 5/20 0.38
PKLR P30613 1/20 0.36
CYP46A1 Q9Y6A2 4/20 0.36
AVPR1A P37288 4/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR6 P50406 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
SCHEMBL5132300 0.90 CYP46A1 (0.40) CYP46A1AVPR1ACYP2D6
SCHEMBL2566086 0.86 BMP1 (0.42) AVPR1B
SCHEMBL5132545 0.84 MEN1 (0.41) AVPR1BCYP2D6CYP2C19HTR6
SCHEMBL5128437 0.84 AVPR1A (0.43) PKLRCYP46A1AVPR1A
SCHEMBL5128035 0.84 TP53 (0.41) AVPR1BAVPR1AHTR6
SCHEMBL5131542 0.83 TAS2R14 (0.47) CYP46A1CYP2D6CYP2C19
SCHEMBL5122819 0.83 OPRM1 (0.39) PKLR
SCHEMBL2569905 0.82 BDKRB1 (0.48) AVPR1BAVPR1AHTR6
SCHEMBL2562887 0.82 BDKRB1 (0.48) AVPR1BAVPR1AHTR6
SCHEMBL2565923 0.82 BDKRB1 (0.50) AVPR1BAVPR1AHTR6

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 AVPR1B 14/4885PKLR 746/4885CYP46A1 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.