SCHEMBL10121787

SCHEMBL10121787

CCN(CC)CCCS(=O)(=O)N(C)[C@H](CCc1ccccc1)c1nc(CN(C(C)=O)C2CCCC2)n(C)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
AGTR2 P50052 3/20 0.34
CCR5 P51681 9/20 0.34
CHRM1 P11229 1/20 0.33
HTR2A P28223 1/20 0.33
GHSR Q92847 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
OPRM1 P35372 2/20 0.32

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
SCHEMBL1709698 0.83 DPP7 (0.35) CHRM1GHSR
SCHEMBL10122242 0.77 AGTR2 (0.33) L3MBTL1AGTR2CCR5CHRM1GHSR
SCHEMBL10121648 0.76 GHSR (0.43) L3MBTL1CCR5GHSR
SCHEMBL1709678 0.75 GHSR (0.43) L3MBTL1AGTR2CCR5GHSR
SCHEMBL1709666 0.74 GHSR (0.43) L3MBTL1AGTR2CCR5GHSR
SCHEMBL10122264 0.73 GHSR (0.44) CCR5GHSR
SCHEMBL10122295 0.73 GHSR (0.50) HTR2AGHSRUSP2HPGDHSD17B10
SCHEMBL10122225 0.72 GHSR (0.44) L3MBTL1CCR5CHRM1GHSROPRM1
SCHEMBL1709732 0.72 GHSR (0.43) AGTR2CCR5GHSR
SCHEMBL10122251 0.72 GHSR (0.34) AGTR2CCR5CHRM1GHSROPRM1

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 L3MBTL1 4633/4885AGTR2 612/4885CCR5 4058/4885

“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.