SCHEMBL3733285

SCHEMBL3733285

C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.47
CTSS P25774 11/20 0.47
CTSL P07711 3/20 0.44
CTSB P07858 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL1688920 1.00 CTSK (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL3735030 1.00 CTSK (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL938241 0.92 CTSK (0.46) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL938304 0.92 CTSK (0.46) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL879326 0.92 CTSK (0.46) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL18397664 0.89 CYP1A2 (0.57) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL13239937 0.89 CTSK (0.43) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL305190 0.87 CTSS (0.50) CTSKCTSSCTSLCTSBCA1
SCHEMBL755894 0.87 CTSS (0.50) CTSKCTSSCTSLCTSBCA1
SCHEMBL939477 0.87 CTSS (0.50) CTSKCTSSCTSLCTSBCA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110475785-B Peptide compound, method for producing same, composition for screening, and method for selecting peptide compound 富士胶片株式会社 2023-06-13 CN disclosed
US-8722014-B2 1 H-[1, 2, 3] triazole substituted amino acids and uses thereof WASHINGTON UNIVERSITY (US) 2014-05-13 US disclosed
US-20100278732-A1 1H-[1, 2, 3] TRIAZOLE SUBSTITUTED AMINO ACIDS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2010-11-04 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-20100278732-A1 1H-[1, 2, 3] TRIAZOLE SUBSTITUTED AMINO ACIDS AND USES THEREOF SLC7A1, SLC1A5, SLC1A3 CTSK 979/4885CTSS 1011/4885CTSL 1583/4885

“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.