SCHEMBL10122288

SCHEMBL10122288

CCN(CC)CCCS(=O)(=O)N[C@H](CC1CCCCC1)c1nc(CNC(=O)OCc2ccccc2)n(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.38
REN P00797 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CTSS P25774 3/20 0.38
CTSB P07858 2/20 0.38
CTSK P43235 2/20 0.38
CTSL P07711 1/20 0.38
GHSR Q92847 1/20 0.37
ACHE P22303 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL1709581 0.93 CASP1 (0.40) CASP1RENHDAC1HDAC6CTSS
SCHEMBL10122289 0.88 HDAC1 (0.41) CASP1HDAC1HDAC6CTSSCTSB
SCHEMBL1709575 0.87 HSD17B10 (0.40) HDAC1HDAC6CTSSCTSBCTSK
SCHEMBL1709692 0.87 GHSR (0.48) CASP1HDAC1HDAC6CTSSCTSL
SCHEMBL1709670 0.83 GHSR (0.45) HDAC1HDAC6GHSRACHECYP3A4
SCHEMBL1709579 0.82 GHSR (0.46) HDAC1HDAC6GHSRALDH1A1CYP3A4
SCHEMBL1709724 0.82 MMP1 (0.32) LMNATSHR
SCHEMBL10122137 0.82 CCR5 (0.32) ALDH1A1LMNATSHR
SCHEMBL10122142 0.81 CCR5 (0.41) GHSRLMNAKMT2A
SCHEMBL1709721 0.81 GHSR (0.40) CASP1HDAC1HDAC6GHSRACHE

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 2941/4885REN 506/4885HDAC1 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.