SCHEMBL10121648

SCHEMBL10121648

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(CN(C(=O)OCc2ccccc2)C2CCCCC2)n(C)n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.43
CCR5 P51681 17/20 0.41
L3MBTL1 Q9Y468 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL10122264 0.97 GHSR (0.44) GHSRCCR5HDAC1HDAC6
SCHEMBL10121971 0.89 GHSR (0.44) GHSRCCR5L3MBTL1HDAC1HDAC6
SCHEMBL10122225 0.88 GHSR (0.44) GHSRCCR5L3MBTL1HDAC1HDAC6
SCHEMBL10122096 0.87 GHSR (0.47) GHSRCCR5HDAC1HDAC6
SCHEMBL10122085 0.86 GHSR (0.42) GHSRCCR5HDAC1HDAC6
SCHEMBL1709678 0.85 GHSR (0.43) GHSRCCR5L3MBTL1
SCHEMBL1709718 0.84 GHSR (0.55) GHSRCCR5L3MBTL1HDAC1HDAC6
SCHEMBL1709564 0.84 GHSR (0.44) GHSRHDAC1HDAC6
SCHEMBL10121725 0.83 GHSR (0.49) GHSRHDAC1HDAC6
SCHEMBL1709626 0.83 GHSR (0.45) 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 4058/4885L3MBTL1 4633/4885

“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.