SCHEMBL10144106

SCHEMBL10144106

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PSENEN Q9NZ42 9/20 0.45
▸ CTSD P07339 4/20 0.45
▸ REN P00797 1/20 0.45
▸ CTSS P25774 3/20 0.44
▸ CTSK P43235 3/20 0.44
▸ PSEN1 P49768 8/20 0.44
▸ PSEN2 P49810 8/20 0.44
▸ APH1B Q8WW43 8/20 0.44
▸ NCSTN Q92542 8/20 0.44
▸ APH1A Q96BI3 8/20 0.44
▸ KLK5 Q9Y337 1/20 0.43
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ BIRC2 Q13490 1/20 0.40

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
SCHEMBL10144173 0.90 CYP1A2 (0.48) PSENENCTSDRENCTSSCTSK
SCHEMBL22989798 0.89 CTSD (0.44) PSENENCTSDRENCTSSCTSK
SCHEMBL23080079 0.84 PSENEN (0.48) PSENENCTSDRENCTSSCTSK
SCHEMBL14649972 0.83 CYP1A2 (0.46) CTSSCTSKKLK5CA1CA2
SCHEMBL475731 0.83 CYP1A2 (0.46) CTSSCTSKKLK5CA1CA2
SCHEMBL475730 0.83 CYP1A2 (0.46) CTSSCTSKKLK5CA1CA2
SCHEMBL29484068 0.83 PSENEN (0.47) PSENENCTSDRENCTSSCTSK
SCHEMBL16383328 0.83 CTSK (0.47) PSENENCTSDRENCTSSCTSK
SCHEMBL3058483 0.81 CTSK (0.41) PSENENCTSDRENCTSSCTSK
SCHEMBL7613504 0.81 PSENEN (0.55) PSENENCTSDRENCTSSCTSK

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 PSENEN 4773/4885CTSD 3734/4885REN 1346/4885
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto TMT1A, LPO, GSTO1 PSENEN 4773/4885CTSD 3734/4885REN 1346/4885

“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.

Send feedback