SCHEMBL1709653

SCHEMBL1709653

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(Cc2cn(C)c3ccc(Cl)cc23)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.53
PLA2G4A P47712 4/20 0.36
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
SNCA P37840 1/20 0.33
CCR4 P51679 3/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
S1PR1 P21453 2/20 0.32

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
SCHEMBL10121930 0.92 GHSR (0.52) GHSRPLA2G4ATDP2NSD2CASP3
SCHEMBL1709543 0.91 GHSR (0.57) GHSRCCR4KMT2AMEN1
SCHEMBL10121949 0.90 GHSR (0.63) GHSR
SCHEMBL10121669 0.88 GHSR (0.61) GHSRPLA2G4ATDP2NSD2CASP3
SCHEMBL1709712 0.87 GHSR (0.53) GHSRCCR4TP53KMT2AMEN1
SCHEMBL10121934 0.85 GHSR (0.54) GHSRPLA2G4ACCR4TP53
SCHEMBL1988495 0.84 GHSR (0.62) GHSRCCR4TP53KMT2AMEN1
SCHEMBL1709599 0.83 GHSR (0.56) GHSRCCR4KMT2AMEN1
SCHEMBL10121951 0.83 GHSR (0.62) GHSR
SCHEMBL1709601 0.81 GHSR (0.54) GHSRCCR4KMT2AMEN1

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.