SCHEMBL6466408

SCHEMBL6466408

CC(C)C[C@H](N)C(=O)NC1CCn2c(=O)c3ccccc3c(=O)n2CC1O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.43
CACNA1B Q00975 1/20 0.41
SHMT2 P34897 5/20 0.38
LARS1 Q9P2J5 3/20 0.37
CASP3 P42574 2/20 0.35
CASP1 P29466 2/20 0.35
ELANE P08246 1/20 0.34
CASP7 P55210 1/20 0.34
MMP2 P08253 1/20 0.34

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
SCHEMBL6456046 0.80 CTSK (0.53) CTSKCASP3CASP1CASP7
SCHEMBL6456049 0.80 CTSK (0.53) CTSKCASP3CASP1CASP7
SCHEMBL6466403 0.80 SHMT2 (0.33) CTSKSHMT2
SCHEMBL5096687 0.74 CTSK (0.47) CTSKCACNA1BLARS1
SCHEMBL5105564 0.74 CTSK (0.47) CTSKCACNA1BLARS1
SCHEMBL4689695 0.74 ALDH1A1 (0.47) CTSK
SCHEMBL7425826 0.74 ALDH1A1 (0.47) CTSK
SCHEMBL5096694 0.74 CTSK (0.47) CTSKCACNA1BLARS1
Hydrochloric Acid SCHEMBL6580442 0.73 CTSK (0.66) CTSK
SCHEMBL7427967 0.73 CACNA1B (0.53) CACNA1BLARS1MMP2

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-20050203084-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2005-09-15 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-20050203084-A1 Protease inhibitors SERPINB1, SPINT2, PRSS1 CTSK 72/4885CACNA1B 3911/4885SHMT2 4852/4885

“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.