SCHEMBL7436235

SCHEMBL7436235

COC(=O)CNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.70
CTSK P43235 6/20 0.70
CA2 P00918 1/20 0.54
REN P00797 1/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
MAPT P10636 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
BACE1 P56817 4/20 0.44
TSHR P16473 1/20 0.43
KLK5 Q9Y337 1/20 0.43
EPHX2 P34913 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
SCHEMBL10606387 1.00 CTSS (0.70) CTSSCTSKCA2RENKDM4E
SCHEMBL3721596 1.00 CTSS (0.70) CTSSCTSKCA2RENKDM4E
Iodide SCHEMBL7508332 0.96 CTSS (0.66) CTSSCTSKCA2RENKDM4E
SCHEMBL10606688 0.89 CTSS (0.74) CTSSCTSKCA2KDM4EALDH1A1
SCHEMBL9611898 0.89 CTSS (0.74) CTSSCTSKCA2KDM4EALDH1A1
SCHEMBL8778050 0.88 CTSK (0.66) CTSSCTSKCA2KDM4EALDH1A1
Iodide SCHEMBL9787694 0.85 CTSK (0.62) CTSSCTSKCA2KDM4EALDH1A1
SCHEMBL11333258 0.84 CTSS (0.59) CTSSCTSKCA2RENCTSL
SCHEMBL5221570 0.84 CTSS (0.70) CTSSCTSKCA2RENKDM4E
SCHEMBL28969865 0.84 CTSS (0.70) CTSSCTSKCA2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382193-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2016-07-05 US disclosed
US-9382193-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2016-07-05 US disclosed
US-20150315129-A1 PROCESSES FOR FORMING AMIDE BONDS AND COMPOSITIONS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-20150315129-A1 PROCESSES FOR FORMING AMIDE BONDS AND COMPOSITIONS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-8921599-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2014-12-30 US disclosed
US-8921599-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2014-12-30 US disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto EMORY UNIVERSITY (US) 2012-05-03 US disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 US disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 US disclosed
US-6034215-A 3-amino-2-oxo-1-piperidnercetic derivatives as enzyme inhibitors CORVAS INTERNATIONAL, INC. (US) 2000-03-07 US disclosed
US-5932733-A INHIBITOR OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1999-08-03 US disclosed
EP-0765339-B1 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES CONTAINING AN ARGININE MIMIC AS ENZYME INHIBITORS CORVAS INT INC (US) 1999-01-27 EP disclosed
US-5703208-A ANTICOAGULANTS CORVAS INTERNATIONAL, INC. (US) 1997-12-30 US disclosed
CN-1151166-A 3-Amino-2-oxo-1-piperidineacetic acid derivatives as enzyme inhibitors CORVAS INT INC (US) 1997-06-04 CN disclosed
EP-0765339-A1 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES CONTAINING AN ARGININE MIMIC AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-04-02 EP disclosed
WO-1995035313-A1 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES CONTAINING AN ARGININE MIMIC AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1995-12-28 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 (3 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-20150315129-A1 PROCESSES FOR FORMING AMIDE BONDS AND COMPOSITIONS RELATED THERETO TMT1A, LPO, GSTO1 CTSS 2126/4885CTSK 3357/4885CA2 1237/4885
US-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS CTSS 3678/4885CTSK 2701/4885CA2 4640/4885
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto TMT1A, LPO, GSTO1 CTSS 2126/4885CTSK 3357/4885CA2 1237/4885

“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.