SCHEMBL7036592

SCHEMBL7036592

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCN(S(=O)(=O)c2ccccc2)CC1O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.51
CACNA1B Q00975 3/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.43
CYP2C19 P33261 1/20 0.42
CTSL P07711 2/20 0.41
CTSS P25774 2/20 0.41
CCKAR P32238 1/20 0.41

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
SCHEMBL4902191 1.00 CTSK (0.51) CTSKCACNA1BMAPK1KMT2ACYP2C19
SCHEMBL5582055 0.92 CACNA1B (0.47) CTSKCACNA1BKMT2ACYP2C19
SCHEMBL5582054 0.92 CACNA1B (0.47) CTSKCACNA1BKMT2ACYP2C19
SCHEMBL5099152 0.91 MMP2 (0.48) CTSKCACNA1BKMT2A
SCHEMBL7562941 0.91 MMP2 (0.48) CTSKCACNA1BKMT2A
SCHEMBL5099149 0.91 MMP2 (0.48) CTSKCACNA1BKMT2A
SCHEMBL5105702 0.91 CACNA1B (0.46) CTSKCACNA1B
SCHEMBL5105698 0.91 CACNA1B (0.46) CTSKCACNA1B
SCHEMBL6635523 0.90 CACNA1B (0.45) CTSKCACNA1B
SCHEMBL5105827 0.90 CACNA1B (0.45) CTSKCACNA1B

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-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 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-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP CTSK 47/4885CACNA1B 3902/4885MAPK1 4490/4885

“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.