SCHEMBL5129015

SCHEMBL5129015

O=C(COCC1CCCN1S(=O)(=O)c1cc(Cl)sc1Cl)N1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.38
PKLR P30613 4/20 0.38
CYP46A1 Q9Y6A2 2/20 0.37
EPHX2 P34913 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TACR1 P25103 1/20 0.35
CYP2D6 P10635 1/20 0.35
AVPR1A P37288 2/20 0.34
CASP3 P42574 1/20 0.34
CASP2 P42575 1/20 0.34
CASP7 P55210 1/20 0.34
CASP9 P55211 1/20 0.34
TSHR P16473 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL5129420 0.89 CHRM4 (0.37) LOXEPHX2ALDH1A1CASP3CASP2
SCHEMBL2566833 0.87 ALDH1A1 (0.43) LOXALDH1A1CYP2D6CASP3CASP2
SCHEMBL5128726 0.86 PKM (0.36) LOXEPHX2ALDH1A1CASP3CASP2
SCHEMBL5127118 0.84 PKLR (0.42) LOXPKLRCYP46A1EPHX2ALDH1A1
SCHEMBL5132580 0.83 EPHX2 (0.35) LOXEPHX2PKM
SCHEMBL5129027 0.83 CCR1 (0.39) EPHX2CASP3CASP7PKM
SCHEMBL3828007 0.83 HCRTR1 (0.39) PKLRCYP46A1EPHX2ALDH1A1TACR1
SCHEMBL5125891 0.83 PKLR (0.41) PKLRCYP46A1EPHX2TACR1CASP3
SCHEMBL5125464 0.82 PKLR (0.47) PKLRALDH1A1PKM
SCHEMBL3825264 0.82 MEN1 (0.43) ALDH1A1CYP2D6CASP3CASP7PKM

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 LOX 1976/4885PKLR 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.