SCHEMBL10122264

SCHEMBL10122264

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(CN(C(=O)OCc2ccccc2)C2CC2)n(C)n1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.44
CCR5 P51681 18/20 0.40
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL10121648 0.97 GHSR (0.43) GHSRCCR5HDAC1HDAC6
SCHEMBL10122085 0.89 GHSR (0.42) GHSRCCR5HDAC1HDAC6
SCHEMBL10122096 0.89 GHSR (0.47) GHSRCCR5HDAC1HDAC6
SCHEMBL10122225 0.86 GHSR (0.44) GHSRCCR5HDAC1HDAC6
SCHEMBL10121971 0.85 GHSR (0.44) GHSRCCR5HDAC1HDAC6
SCHEMBL10121725 0.85 GHSR (0.49) GHSRHDAC1HDAC6
SCHEMBL1709692 0.85 GHSR (0.48) GHSRHDAC1HDAC6
SCHEMBL1709627 0.83 GHSR (0.46) GHSRCCR5HDAC1HDAC6
SCHEMBL1709720 0.83 GHSR (0.52) GHSRHDAC1HDAC6
SCHEMBL1709673 0.83 GHSR (0.52) GHSRHDAC1HDAC6

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 1/4885CCR5 4058/4885HDAC1 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.