SCHEMBL5122035

SCHEMBL5122035

O=C(COCC1CCCCN1S(=O)(=O)c1ccccc1C(F)(F)F)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.44
OPRM1 P35372 8/20 0.44
OPRK1 P41145 3/20 0.44
CHRM4 P08173 1/20 0.44
OPRD1 P41143 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
S1PR1 P21453 1/20 0.40
PKLR P30613 1/20 0.39
SOS1 Q07889 1/20 0.38
BDKRB1 P46663 1/20 0.38
HCRTR1 O43613 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL3823420 0.92 HCRTR1 (0.40) OPRL1OPRM1OPRK1CHRM4OPRD1
SCHEMBL5131228 0.89 OPRM1 (0.47) OPRL1OPRM1OPRK1OPRD1
SCHEMBL5123813 0.88 CCR1 (0.39) MEN1KMT2AHCRTR1
SCHEMBL5121908 0.88 CCR1 (0.47) CHRM4MEN1KMT2AHCRTR1
SCHEMBL5129990 0.87 MEN1 (0.45) MEN1KMT2AHCRTR1
SCHEMBL5126195 0.87 OPRL1 (0.45) OPRL1OPRM1OPRK1CHRM4OPRD1
SCHEMBL5128613 0.86 OPRL1 (0.44) OPRL1OPRM1OPRK1CHRM4OPRD1
SCHEMBL5125564 0.85 CHRM4 (0.45) OPRL1OPRM1OPRK1CHRM4OPRD1
SCHEMBL5131244 0.84 CHRM4 (0.42) OPRL1OPRM1OPRK1CHRM4OPRD1
SCHEMBL5128309 0.84 CHRM4 (0.45) OPRL1OPRM1OPRK1CHRM4OPRD1

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 OPRL1 10/4885OPRM1 232/4885OPRK1 64/4885

“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.