SCHEMBL1709557

SCHEMBL1709557

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(CNC(=O)OCc2ccccc2)nn1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.48
SIRT2 Q8IXJ6 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CASP1 P29466 2/20 0.37
SCN1A P35498 2/20 0.36
SCN2A Q99250 2/20 0.36
SCN3A Q9NY46 2/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
GAA P10253 1/20 0.35
MMP2 P08253 3/20 0.35
MMP9 P14780 3/20 0.35
KCNA5 P22460 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33

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
SCHEMBL10122117 0.87 GHSR (0.47) GHSRSIRT2HDAC1HDAC6CASP1
SCHEMBL10121956 0.87 GHSR (0.46) GHSRSCN1ASCN2ASCN3AGAA
SCHEMBL1709692 0.87 GHSR (0.48) GHSRSIRT2HDAC1HDAC6CASP1
SCHEMBL1709687 0.86 GHSR (0.52) GHSRSCN1ASCN2ASCN3AGAA
SCHEMBL10122245 0.86 GHSR (0.51) GHSRSCN1ASCN2ASCN3AGAA
SCHEMBL1709566 0.85 GHSR (0.45) GHSRSCN1ASCN2ASCN3AGAA
SCHEMBL1709714 0.84 GHSR (0.44) GHSRSCN1ASCN2ASCN3A
SCHEMBL1709642 0.84 GHSR (0.48) GHSRSIRT2HDAC6CASP1SCN1A
SCHEMBL1709562 0.84 GHSR (0.52) GHSRSCN1ASCN2ASCN3AGAA
SCHEMBL1709695 0.83 GHSR (0.48) GHSRSIRT2HDAC1HDAC6CASP1

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 1/4885SIRT2 985/4885HDAC1 803/4885

“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.