SCHEMBL5125891

SCHEMBL5125891

O=C(COCC1CCCN1S(=O)(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKLR P30613 7/20 0.41
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 1/20 0.38
TACR1 P25103 4/20 0.38
KCNH2 Q12809 2/20 0.37
EPHX2 P34913 1/20 0.37
MCHR1 Q99705 1/20 0.37
CASP1 P29466 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CYP46A1 Q9Y6A2 1/20 0.36
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL5128172 0.98 PKLR (0.40) PKLRCYP3A4GAACYP2C19TACR1
SCHEMBL5127118 0.90 PKLR (0.42) PKLREPHX2CYP46A1
SCHEMBL5127990 0.89 CHRM4 (0.41) TACR1CASP1CASP3CASP7BRD4
SCHEMBL3827383 0.87 CHRM4 (0.40) TACR1CASP1CASP3CASP7
SCHEMBL5129017 0.85 PKLR (0.51) PKLRCYP3A4GAACYP2C19CASP1
SCHEMBL5128309 0.85 CHRM4 (0.45) CYP3A4CASP1CASP3CASP7SMN1; SMN2
SCHEMBL3821931 0.84 S1PR2 (0.43) CASP1CASP3CASP7BRD4BRD2
SCHEMBL5123720 0.83 S1PR2 (0.42) CASP1CASP3CASP7BRD4BRD2
SCHEMBL5129015 0.83 LOX (0.38) PKLRTACR1EPHX2CASP3CASP7
SCHEMBL5128658 0.82 OPRM1 (0.45) CASP1CASP3CASP7

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 PKLR 746/4885CYP3A4 2431/4885GAA 3363/4885

“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.