SCHEMBL16899092

SCHEMBL16899092

C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(=O)OOC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.46
REN P00797 2/20 0.42
CYP2D6 P10635 1/20 0.40
CTSK P43235 4/20 0.40
CTSS P25774 3/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
SCN9A Q15858 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL21737915 0.89 BACE1 (0.48) BACE1RENCYP2D6CTSKCTSS
SCHEMBL30910800 0.89 BACE1 (0.48) BACE1RENCYP2D6CTSKCTSS
SCHEMBL30511412 0.89 BACE1 (0.48) BACE1RENCYP2D6CTSKCTSS
Hydrochloric Acid SCHEMBL30511421 0.88 BACE1 (0.48) BACE1RENCYP2D6CTSKCTSS
SCHEMBL16899124 0.86 CYP1A2 (0.44) BACE1CYP2D6CTSKCTSSCTSL
SCHEMBL21724228 0.84 BACE1 (0.51) BACE1RENCTSKCTSSCTSL
SCHEMBL21724565 0.84 BACE1 (0.51) BACE1RENCTSKCTSSCTSL
SCHEMBL21724562 0.84 BACE1 (0.51) BACE1RENCTSKCTSSCTSL
SCHEMBL9980636 0.84 BACE1 (0.51) BACE1RENCTSKCTSSCTSL
Hydrochloric Acid SCHEMBL21724540 0.83 BACE1 (0.50) BACE1RENCTSKCTSSCTSL

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-RE49816-E1 Dipeptides as inhibitors of human immunoproteasomes CORNELL UNIVERSITY (US) 2024-01-30 US disclosed
EP-3092244-B1 DIPEPTIDES AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES UNIV CORNELL (US) 2019-08-14 EP disclosed
US-9988421-B2 Dipeptides as inhibitors of human immunoproteasomes CORNELL UNIVERSITY (US) 2018-06-05 US disclosed
US-20170121366-A1 DIPEPTIDES AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES CORNELL UNIVERSITY 2017-05-04 US disclosed
EP-3092244-A2 DIPEPTIDES AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES Cornell University (US) 2016-11-16 EP disclosed
WO-2015106200-A2 DIPEPTIDES AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES CORNELL UNIVERSITY (US) 2015-07-16 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 (1 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-20170121366-A1 DIPEPTIDES AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES DNPEP, PSMB10, DPEP1 BACE1 337/4885REN 532/4885CYP2D6 2362/4885

“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.