SCHEMBL16982381

SCHEMBL16982381

CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C

nearest known ligand 0.89

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 14/20 0.89
▸ CTSB P07858 3/20 0.89
▸ CAPN9 O14815 3/20 0.89
▸ MAPK1 P28482 2/20 0.89
▸ CTSL P07711 3/20 0.79
▸ LMNA P02545 2/20 0.79
▸ CTSG P08311 1/20 0.79
▸ CTSK P43235 2/20 0.58
▸ CTSH P09668 1/20 0.58
▸ CTSS P25774 1/20 0.58
▸ CTSC P53634 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ USP2 O75604 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ BLM P54132 1/20 0.58

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
E-64C SCHEMBL10750447 0.94 CAPN1 (1.00) CAPN1CTSBCAPN9MAPK1CTSL
E-64C SCHEMBL6041204 0.94 CAPN1 (1.00) CAPN1CTSBCAPN9MAPK1CTSL
E-64C SCHEMBL14067670 0.94 CAPN1 (1.00) CAPN1CTSBCAPN9MAPK1CTSL
E-64C SCHEMBL3281530 0.94 CAPN1 (1.00) CAPN1CTSBCAPN9MAPK1CTSL
SCHEMBL8219586 0.94 CAPN1 (0.81) CAPN1CTSBCAPN9MAPK1CTSL
E-64C SCHEMBL1121089 0.94 CAPN1 (1.00) CAPN1CTSBCAPN9MAPK1CTSL
E-64C SCHEMBL10933522 0.94 CAPN1 (1.00) CAPN1CTSBCAPN9MAPK1CTSL
SCHEMBL14067664 0.93 CAPN1 (0.79) CAPN1CTSBCAPN9MAPK1CTSL
SCHEMBL14067686 0.93 CAPN1 (0.79) CAPN1CTSBCAPN9MAPK1CTSL
SCHEMBL4777829 0.93 CAPN1 (0.79) CAPN1CTSBCAPN9MAPK1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166543-A1 COMPOSITIONS AND METHODS FOR SYNTHESIZING (2S,3S)-TRANS-EPOXYSUCCINYL-L-LEUCYL-AMIDO-3-METHYLBUTANE ETHYL ESTER AMERICAN LIFE SCIENCE PHARMACEUTICALS INC (US) 2017-06-15 — — US disclosed
WO-2015117094-A1 COMPOSITIONS AND METHODS FOR SYNTHESIZING (2S,3S)-TRANS-EPOXYSUCCINYL-L-LEUCYL-AMIDO-3-METHYLBUTANE ETHYL ESTER AMERICAN LIFE SCIENCE PHARMACEUTICALS, INC. (US) 2015-08-06 — — WO 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-20170166543-A1 COMPOSITIONS AND METHODS FOR SYNTHESIZING (2S,3S)-TRANS-EPOXYSUCCINYL-L-LEUCYL-AMIDO-3-METHYLBUTANE ETHYL ESTER PTMS, LTA, LPXN CAPN1 3843/4885CTSB 2717/4885CAPN9 3973/4885

“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.

Send feedback