SCHEMBL10174993

SCHEMBL10174993

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)S

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.67
CTSK P43235 8/20 0.67
CTSB P07858 2/20 0.67
CTSL P07711 1/20 0.67
ACE P12821 1/20 0.64
ATM Q13315 1/20 0.59
AKT1 P31749 1/20 0.58
KLK5 Q9Y337 1/20 0.56
PPARA Q07869 2/20 0.55
PPARG P37231 1/20 0.55
APP P05067 1/20 0.54
REN P00797 1/20 0.53

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
SCHEMBL606309 0.88 ACE (0.79) CTSSCTSKCTSBCTSLACE
SCHEMBL21473784 0.88 ACE (0.79) CTSSCTSKCTSBCTSLACE
SCHEMBL7269746 0.88 CTSS (0.70) CTSSCTSKCTSBCTSLACE
SCHEMBL795685 0.88 ACE (0.79) CTSSCTSKCTSBCTSLACE
SCHEMBL66220 0.88 ACE (0.79) CTSSCTSKCTSBCTSLACE
SCHEMBL67020 0.88 ACE (0.79) CTSSCTSKCTSBCTSLACE
SCHEMBL27909397 0.88 ACE (0.79) CTSSCTSKCTSBCTSLACE
SCHEMBL18435382 0.87 CTSS (0.68) CTSSCTSKCTSBCTSLACE
SCHEMBL7311950 0.87 CTSS (0.68) CTSSCTSKCTSBCTSLACE
SCHEMBL4526753 0.87 CTSS (0.68) CTSSCTSKCTSBCTSLACE

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 4 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-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-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto EMORY UNIVERSITY (US) 2012-05-03 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 (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-20150315129-A1 PROCESSES FOR FORMING AMIDE BONDS AND COMPOSITIONS RELATED THERETO TMT1A, LPO, GSTO1 CTSS 2126/4885CTSK 3357/4885CTSB 3818/4885
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto TMT1A, LPO, GSTO1 CTSS 2126/4885CTSK 3357/4885CTSB 3818/4885

“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.