SCHEMBL5125564

SCHEMBL5125564

O=C(COCC1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
OPRL1 P41146 8/20 0.43
OPRM1 P35372 7/20 0.43
OPRK1 P41145 3/20 0.43
OPRD1 P41143 2/20 0.42
S1PR1 P21453 1/20 0.39
SOS1 Q07889 1/20 0.39
ABCB11 O95342 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL5126195 0.98 OPRL1 (0.45) CHRM4MEN1KMT2AOPRL1OPRM1
SCHEMBL5128309 0.96 CHRM4 (0.45) CHRM4MEN1KMT2AOPRL1OPRM1
SCHEMBL5128613 0.94 OPRL1 (0.44) CHRM4MEN1KMT2AOPRL1OPRM1
SCHEMBL5127145 0.90 OPRM1 (0.46) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL5127990 0.90 CHRM4 (0.41) CHRM4MEN1KMT2ACASP1CASP3
SCHEMBL5132074 0.89 CCR1 (0.43) CHRM4MEN1KMT2A
SCHEMBL5123838 0.88 MEN1 (0.42) CHRM4MEN1KMT2AOPRL1OPRM1
SCHEMBL5126207 0.88 OPRM1 (0.47) OPRL1OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL3827383 0.88 CHRM4 (0.40) CHRM4MEN1KMT2AOPRL1OPRM1
SCHEMBL5131244 0.87 CHRM4 (0.42) CHRM4MEN1KMT2AOPRL1OPRM1

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 CHRM4 891/4885MEN1 1340/4885KMT2A 2892/4885

“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.