SCHEMBL10175603

SCHEMBL10175603

CCOC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.58
CTSK P43235 3/20 0.58
CTSB P07858 2/20 0.58
CTSL P07711 1/20 0.58
CTSD P07339 3/20 0.56
REN P00797 4/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
AKT1 P31749 1/20 0.52
PSEN1 P49768 2/20 0.51
PSEN2 P49810 2/20 0.51
APH1B Q8WW43 2/20 0.51
NCSTN Q92542 2/20 0.51
APH1A Q96BI3 2/20 0.51
PSENEN Q9NZ42 2/20 0.51
BACE1 P56817 6/20 0.51

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
SCHEMBL11282264 1.00 CTSS (0.58) CTSSCTSKCTSBCTSLCTSD
SCHEMBL11286012 0.94 REN (0.57) CTSSCTSKCTSBCTSLCTSD
SCHEMBL11286016 0.94 REN (0.57) CTSSCTSKCTSBCTSLCTSD
SCHEMBL28916808 0.91 REN (0.63) CTSSCTSKCTSBCTSLCTSD
SCHEMBL30279290 0.91 REN (0.63) CTSSCTSKCTSBCTSLCTSD
SCHEMBL10456411 0.91 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL10944784 0.91 CTSS (0.69) CTSSCTSKCTSBCTSLAKT1
SCHEMBL28916842 0.90 CTSS (0.62) CTSSCTSKCTSBCTSLCTSD
SCHEMBL30279324 0.90 CTSS (0.62) CTSSCTSKCTSBCTSLCTSD
SCHEMBL28961339 0.84 CTSD (0.67) CTSSCTSKCTSBCTSLCTSD

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 6 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
US-4351828-A N-Substituted cyclopeptide derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-28 US disclosed
US-4237045-A N-substituted cyclopeptide derivatives and preparation thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1980-12-02 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.