SCHEMBL1709629

SCHEMBL1709629

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(COC(=O)NC2CCCC2)n(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.45
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
EPHX1 P07099 2/20 0.36
CYP3A4 P08684 2/20 0.34
KCNH2 Q12809 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
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 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
SCHEMBL1709564 0.99 GHSR (0.44) GHSRHDAC1HDAC6EPHX1CYP3A4
SCHEMBL1709626 0.99 GHSR (0.45) GHSRHDAC1HDAC6EPHX1CYP3A4
SCHEMBL1709627 0.97 GHSR (0.46) GHSRHDAC1HDAC6KCNH2TSHR
SCHEMBL10121783 0.89 GHSR (0.45) GHSREPHX1LMNATSHRALDH1A1
SCHEMBL10121986 0.89 GHSR (0.48) GHSRHDAC1HDAC6CYP3A4SCN1A
SCHEMBL10122225 0.88 GHSR (0.44) GHSRHDAC1HDAC6CYP3A4KCNH2
SCHEMBL1709691 0.88 GHSR (0.44) GHSREPHX1OPRM1TSHR
SCHEMBL10121971 0.87 GHSR (0.44) GHSRHDAC1HDAC6CYP3A4KCNH2
SCHEMBL1709714 0.86 GHSR (0.44) GHSREPHX1CYP3A4KCNH2CHRM2
SCHEMBL1709732 0.86 GHSR (0.43) GHSREPHX1CYP3A4LMNAALDH1A1

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.