SCHEMBL1709581

SCHEMBL1709581

CCN(CC)CCCS(=O)(=O)N[C@H](CCC1CCCCC1)c1nc(CNC(=O)OCc2ccccc2)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GHSR Q92847 1/20 0.38
REN P00797 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.34
ACHE P22303 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
CHRM2 P08172 4/20 0.33
CHRM1 P11229 4/20 0.33
CHRM4 P08173 3/20 0.33
CHRM3 P20309 3/20 0.33
CYP3A4 P08684 2/20 0.33
KEAP1 Q14145 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
SCHEMBL10122288 0.93 CASP1 (0.38) CASP1HDAC1HDAC6GHSRREN
SCHEMBL1709721 0.89 GHSR (0.40) CASP1HDAC1HDAC6GHSRACHE
SCHEMBL1709692 0.88 GHSR (0.48) CASP1HDAC1HDAC6GHSRSIRT2
SCHEMBL10122289 0.87 HDAC1 (0.41) CASP1HDAC1HDAC6GHSRSIRT2
SCHEMBL1709575 0.85 HSD17B10 (0.40) HDAC1HDAC6GHSRSIRT2CTSL
SCHEMBL1709670 0.84 GHSR (0.45) HDAC1HDAC6GHSRACHECHRM2
SCHEMBL1709586 0.84 BMP1 (0.31) GHSR
SCHEMBL10122207 0.84 GHSR (0.49) CASP1HDAC1HDAC6GHSRREN
SCHEMBL1709579 0.84 GHSR (0.46) HDAC1HDAC6GHSRALDH1A1CHRM2
SCHEMBL1709582 0.83 BMP1 (0.30)

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 CASP1 2941/4885HDAC1 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.