SCHEMBL10144100

SCHEMBL10144100

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.51
CTSK P43235 13/20 0.51
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
CAPN1 P07384 1/20 0.43
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL16383457 0.90 CTSS (0.52) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL14953746 0.89 CTSS (0.54) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL12336548 0.82 CTSS (0.67) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL3275039 0.82 CTSS (0.67) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL3436041 0.82 CTSS (0.51) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL7436235 0.82 CTSS (0.70) CTSSCTSKCTSLCTSBCA2
SCHEMBL3721596 0.82 CTSS (0.70) CTSSCTSKCTSLCTSBCA2
SCHEMBL10606387 0.82 CTSS (0.70) CTSSCTSKCTSLCTSBCA2
SCHEMBL13286586 0.82 CTSK (0.56) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL14953745 0.81 CTSK (0.54) CTSSCTSKCTSLCTSBCAPN1

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 3357/4885CTSL 2981/4885
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto TMT1A, LPO, GSTO1 CTSS 2126/4885CTSK 3357/4885CTSL 2981/4885

“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.