SCHEMBL5941540

SCHEMBL5941540

CC(C)C[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CC[C@@H]2[C@H]1C(=O)CN2C(=O)CN1CCCCC1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.72
CTSS P25774 3/20 0.42
CACNA1B Q00975 3/20 0.39
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
CCR1 P32246 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL5941531 1.00 CTSK (0.72) CTSKCTSSCACNA1BCTSVCTSL
SCHEMBL4041100 0.93 CTSK (0.71) CTSKCTSSCTSL
SCHEMBL5941859 0.92 CTSK (0.70) CTSKCTSSCACNA1BCTSVCTSL
SCHEMBL4226398 0.92 CTSK (0.70) CTSKCTSSCACNA1BCTSVCTSL
SCHEMBL4040003 0.92 CTSK (0.70) CTSKCTSSCACNA1BCTSVCTSL
SCHEMBL4226393 0.92 CTSK (0.70) CTSKCTSSCACNA1BCTSVCTSL
SCHEMBL4218541 0.89 CTSK (0.78) CTSKCTSSCACNA1BCTSVCTSL
SCHEMBL4218531 0.89 CTSK (0.78) CTSKCTSSCACNA1BCTSVCTSL
SCHEMBL5942063 0.89 CTSK (0.78) CTSKCTSSCACNA1BCTSVCTSL
SCHEMBL4218134 0.89 CTSK (0.78) CTSKCTSSCACNA1BCTSVCTSL

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-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885CACNA1B 3684/4885

“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.