SCHEMBL21555085

SCHEMBL21555085

CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
KLK7 P49862 1/20 0.43
AGTR2 P50052 1/20 0.43
FKBP1A P62942 3/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
PARP1 P09874 1/20 0.41
HPGD P15428 1/20 0.40
ABCB1 P08183 1/20 0.40
HTT P42858 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 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
SCHEMBL12873023 0.94 CTSL (0.46) CTSLKLK7AGTR2FKBP1AJAK2
SCHEMBL27264315 0.94 CTSL (0.46) CTSLKLK7AGTR2FKBP1AJAK2
SCHEMBL21554728 0.90 CTSL (0.46) CTSLKLK7AGTR2FKBP1AJAK2
SCHEMBL18591209 0.90 CTSL (0.46) CTSLKLK7AGTR2FKBP1AJAK2
SCHEMBL20539082 0.90 CTSL (0.46) CTSLKLK7AGTR2FKBP1AJAK2
SCHEMBL18591210 0.90 CTSL (0.46) CTSLKLK7AGTR2FKBP1AJAK2
SCHEMBL30272160 0.90 CTSL (0.46) CTSLKLK7AGTR2FKBP1AJAK2
SCHEMBL14544848 0.85 AGTR2 (0.44) CTSLKLK7AGTR2FKBP1APARP1
SCHEMBL13201874 0.85 AGTR2 (0.44) CTSLKLK7AGTR2FKBP1APARP1
SCHEMBL30704459 0.83 KLK7 (0.45) CTSLKLK7AGTR2PARP1PDK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11154563-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2021-10-26 US disclosed
US-20190336515-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. 2019-11-07 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-11154563-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 CTSL 469/4885KLK7 606/4885AGTR2 1475/4885
US-20190336515-A1 IMMUNOPROTEASOME INHIBITORS PSMC2, PSMB7, PSMB2 CTSL 469/4885KLK7 606/4885AGTR2 1475/4885

“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.