SCHEMBL10122137

SCHEMBL10122137

CCN(CC)CCCS(=O)(=O)N[C@H](CC1CCCCC1)c1nc(CNC(=O)N(C)C2CCCCC2)n(C)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.32
BDKRB2 P30411 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL10121990 0.93 CCR5 (0.33) CCR5
SCHEMBL10122142 0.88 CCR5 (0.41) CCR5LMNA
SCHEMBL1709724 0.87 MMP1 (0.32) BDKRB2LMNATSHR
SCHEMBL1709666 0.86 GHSR (0.43) CCR5
SCHEMBL1709586 0.85 BMP1 (0.31)
SCHEMBL10122288 0.82 CASP1 (0.38) ALDH1A1LMNATSHR
SCHEMBL10122144 0.81
SCHEMBL1709582 0.80 BMP1 (0.30)
SCHEMBL1709617 0.80 GHSR (0.32)
SCHEMBL10121985 0.78 GHSR (0.43) CCR5ALDH1A1

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 4058/4885BDKRB2 629/4885ALDH1A1 3182/4885

“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.