SCHEMBL930468

SCHEMBL930468

COC(=O)[C@H](CC[S+](C)[O-])NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.56
ALDH1A1 P00352 1/20 0.54
ALOX15 P16050 1/20 0.54
CTSK P43235 8/20 0.53
CTSS P25774 4/20 0.52
CTSL P07711 3/20 0.52
CTSB P07858 2/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52
CAPN1 P07384 1/20 0.51
TACR1 P25103 2/20 0.50

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
SCHEMBL30613278 1.00 KYNU (0.56) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL26127527 0.91 CTSK (0.54) CTSKCTSSCTSLCTSBSIRT2
SCHEMBL26127525 0.91 CTSK (0.54) CTSKCTSSCTSLCTSBSIRT2
SCHEMBL8386880 0.84 SIRT2 (0.67) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL15613297 0.83 CTSK (0.65) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL15757065 0.83 CTSK (0.65) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL22161320 0.83 CTSK (0.65) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL1068617 0.83 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL1068619 0.83 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL1111097 0.83 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459369-A Synthetic method of N-Boc-vinyl glycine methyl ester and isomer thereof 成都师范学院 2024-08-09 CN disclosed
WO-2023194895-A1 PYRROL DERIVATIVES AS INHIBITORS OF APOLIPOPROTEIN L-1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-12 WO disclosed
WO-2023194895-A1 PYRROL DERIVATIVES AS INHIBITORS OF APOLIPOPROTEIN L-1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-12 WO disclosed
US-9434762-B2 Macrocyclic cysteine protease inhibitors and compositions thereof UNIVERSITY OF CANTERBURY (NZ) 2016-09-06 US disclosed
US-20140194362-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof LINCOLN UNIVERSITY (NZ) 2014-07-10 US disclosed
US-8710178-B2 Macrocyclic cysteine protease inhibitors and compositions thereof LINCOLN UNIVERSITY (NZ) 2014-04-29 US disclosed
US-20110021434-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof UNIVERSITY OF CANTERBURY (NZ) 2011-01-27 US disclosed
WO-2008048121-A2 MACROCYCLIC CYSTEINE PROTEASE INHIBITORS AND COMPOSITIONS THEREOF LINCOLN UNIVERSITY (NZ) 2008-04-24 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 (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-20140194362-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof CAPNS1, CAPN1, CAPN9 KYNU 2965/4885ALDH1A1 4230/4885ALOX15 2178/4885
US-20110021434-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof CAPNS1, CAPN1, CAPN9 KYNU 2965/4885ALDH1A1 4230/4885ALOX15 2178/4885

“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.