SCHEMBL16899124

SCHEMBL16899124

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
CYP2D6 P10635 1/20 0.42
CTSK P43235 5/20 0.40
CTSS P25774 4/20 0.40
SRC P12931 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
BACE1 P56817 5/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
APP P05067 1/20 0.39
SCN9A Q15858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL29283758 0.87 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL6566148 0.87 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL16899092 0.86 BACE1 (0.46) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL9615714 0.86 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL20766588 0.86 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL6435998 0.86 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL29058237 0.83 CYP1A2 (0.62) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL27811871 0.83 CYP1A2 (0.62) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL7351243 0.82 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL607556 0.82 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19HTTCYP2D6

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 CYP1A2 4587/4885CYP2C9 4072/4885CYP2C19 4046/4885

“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.