SCHEMBL10122207

SCHEMBL10122207

CCN(CC)CCCS(=O)(=O)N[C@H](CCC1CCCCC1)c1nc(CNC(=O)OCc2ccccc2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.49
CASP1 P29466 1/20 0.41
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
REN P00797 1/20 0.35
ACHE P22303 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 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
SCHEMBL1709733 0.84 GHSR (0.42) GHSR
SCHEMBL1709548 0.84 GHSR (0.58) GHSRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1709581 0.84 CASP1 (0.40) GHSRCASP1HDAC1HDAC6REN
SCHEMBL1709628 0.84 GHSR (0.42) GHSRACHE
SCHEMBL10122105 0.84 GHSR (0.70) GHSRCASP1HDAC3HDAC4HDAC1
SCHEMBL1709690 0.83 GHSR (0.59) GHSRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1709605 0.83 GHSR (0.64) GHSRHDAC3HDAC4HDAC1HDAC7
SCHEMBL10121851 0.83 GHSR (0.56) GHSRRENACHEALDH1A1LMNA
SCHEMBL1709705 0.82 GHSR (0.41) GHSRTSHR
SCHEMBL10122244 0.82 GHSR (0.41) GHSR

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 1/4885CASP1 2941/4885HDAC3 516/4885

“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.