SCHEMBL10121669

SCHEMBL10121669

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(-c2cn(C)c3ccc(Cl)cc23)n[nH]1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.61
PLA2G4A P47712 9/20 0.37
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DUT P33316 1/20 0.31

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
SCHEMBL1709653 0.88 GHSR (0.53) GHSRPLA2G4ATDP2NSD2CASP3
SCHEMBL10122110 0.86 GHSR (0.71) GHSRCASP7TP53MAPTKMT2A
SCHEMBL10121670 0.86 GHSR (0.61) GHSRPLA2G4A
SCHEMBL1993722 0.83 GHSR (0.81) GHSRTP53MAPTKMT2AALDH1A1
SCHEMBL10122112 0.83 GHSR (0.64) GHSRDUT
SCHEMBL1992391 0.83 GHSR (0.72) GHSRTDP2NSD2CASP3CASP7
SCHEMBL1709680 0.82 GHSR (0.61) GHSRKMT2ADUT
SCHEMBL10121677 0.82 GHSR (0.71) GHSR
SCHEMBL1709541 0.81 GHSR (0.61) GHSRKMT2AKDM4E
SCHEMBL10121930 0.81 GHSR (0.52) GHSRPLA2G4ATDP2NSD2CASP3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088747-A1 SULFONAMIDE CONTAINING COMPOUNDS AND USES THEREOF ELIXIR PHARMACEUTICALS, INC. 2012-04-12 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-20120088747-A1 SULFONAMIDE CONTAINING COMPOUNDS AND USES THEREOF GHSR, GHRHR, STS GHSR 1/4885PLA2G4A 1602/4885TDP2 3328/4885

“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.