SCHEMBL10121986

SCHEMBL10121986

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(COC(=O)NC(C)C)n(C)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.48
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CASP1 P29466 3/20 0.37
SCN1A P35498 2/20 0.36
SCN2A Q99250 2/20 0.36
SCN3A Q9NY46 2/20 0.36
SIRT2 Q8IXJ6 2/20 0.36
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
CTSL P07711 4/20 0.34
CYP3A4 P08684 2/20 0.34
TOP2A P11388 2/20 0.33
TOP2B Q02880 2/20 0.33
CTSS P25774 1/20 0.33
GAA P10253 1/20 0.33
CCR4 P51679 1/20 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
SCHEMBL10121652 0.94 GHSR (0.47) GHSRHDAC1HDAC6CASP1SCN1A
SCHEMBL1709725 0.92 HDAC1 (0.41) GHSRHDAC1HDAC6CASP1SIRT2
SCHEMBL10121714 0.91 GHSR (0.47) GHSRHDAC1HDAC6CASP1SCN1A
SCHEMBL10121725 0.89 GHSR (0.49) GHSRHDAC1HDAC6CASP1SCN1A
SCHEMBL1709629 0.89 GHSR (0.45) GHSRHDAC1HDAC6SCN1ASCN2A
SCHEMBL1709626 0.89 GHSR (0.45) GHSRHDAC1HDAC6SCN1ASCN2A
SCHEMBL1709627 0.89 GHSR (0.46) GHSRHDAC1HDAC6SCN1ASCN2A
SCHEMBL1709692 0.88 GHSR (0.48) GHSRHDAC1HDAC6CASP1SCN1A
SCHEMBL1709564 0.88 GHSR (0.44) GHSRHDAC1HDAC6SCN1ASCN2A
SCHEMBL1709679 0.88 GHSR (0.47) GHSRHDAC1HDAC6SCN1ASCN2A

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 1/4885HDAC1 803/4885HDAC6 186/4885

“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.