SCHEMBL11023873

SCHEMBL11023873

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.58
CTSS P25774 4/20 0.58
CTSL P07711 2/20 0.58
CTSB P07858 1/20 0.58
CAPN1 P07384 1/20 0.54
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
REN P00797 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 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
CYP2D6 P10635 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.41
MAP1LC3A Q9H492 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
SCHEMBL22757739 1.00 CTSK (0.58) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL13499199 0.87 CTSK (0.56) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL10535044 0.85 CTSK (0.61) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL9692057 0.85 CTSK (0.61) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL1041132 0.85 CTSK (0.57) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL24326159 0.85 CTSK (0.57) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL9197703 0.85 CTSK (0.57) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL1041131 0.85 CTSK (0.57) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL6488694 0.85 CTSK (0.57) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL10534425 0.85 CTSK (0.57) CTSKCTSSCTSLCTSBCAPN1

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
US-20160193347-A1 MULTI-TARGETED UBENIMEX PRODRUG DERIVATIVE AND PREPARATION METHOD AND USE THEREOF WEIFANG BOCHUANG INTERNATIONAL ACADEMY OF BIOTECHNOLOGY AND MEDICINE (CN) 2016-07-07 US disclosed
US-20120220784-A1 PROCESS FOR REDUCTION OF ALPHA-ACYLOXY SULFIDE DERIVATIVES SCINOPHARM SINGAPORE PTE, LTD. (SG) 2012-08-30 US disclosed
EP-0161588-A2 Diamino acid derivatives MERCK PATENT GmbH (DE) 1985-11-21 EP 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 (2 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-20160193347-A1 MULTI-TARGETED UBENIMEX PRODRUG DERIVATIVE AND PREPARATION METHOD AND USE THEREOF ANPEP, DNPEP, ENPEP CTSK 413/4885CTSS 366/4885CTSL 134/4885
US-20120220784-A1 PROCESS FOR REDUCTION OF ALPHA-ACYLOXY SULFIDE DERIVATIVES SULT1A1, SQOR, SULT2A1 CTSK 4344/4885CTSS 2589/4885CTSL 4743/4885

“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.