SCHEMBL10122142

SCHEMBL10122142

CCN(CC)CCCS(=O)(=O)N[C@H](Cc1ccccc1)c1nc(CNC(=O)N(C)C2CCCCC2)n(C)n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.41
F2 P00734 5/20 0.37
GHSR Q92847 1/20 0.37
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1709666 0.93 GHSR (0.43) CCR5F2GHSRATMKMT2A
SCHEMBL10122084 0.88 GHSR (0.37) CCR5F2GHSRLMNAKMT2A
SCHEMBL10122137 0.88 CCR5 (0.32) CCR5LMNA
SCHEMBL10122293 0.88 GHSR (0.41) CCR5GHSRLMNAKMT2A
SCHEMBL10122298 0.87 BCHE (0.36) CCR5GHSRLMNA
SCHEMBL10121990 0.86 CCR5 (0.33) CCR5
SCHEMBL10121985 0.85 GHSR (0.43) CCR5F2GHSRATMKMT2A
SCHEMBL1709610 0.85 GHSR (0.38) GHSRLMNAKMT2A
SCHEMBL1709678 0.82 GHSR (0.43) CCR5F2GHSRKMT2A
SCHEMBL1709738 0.82 GHSR (0.46) CCR5F2GHSRKMT2A

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 CCR5 4058/4885F2 4516/4885GHSR 1/4885

“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.