SCHEMBL21554728

SCHEMBL21554728

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
ABCB1 P08183 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
KLK7 P49862 1/20 0.42
PARP1 P09874 1/20 0.42
AGTR2 P50052 1/20 0.41
FKBP1A P62942 3/20 0.41
HPGD P15428 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
F2 P00734 1/20 0.39
HTR2C P28335 1/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 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
SCHEMBL18591210 1.00 CTSL (0.46) CTSLABCB1JAK2JAK1KLK7
SCHEMBL20539082 1.00 CTSL (0.46) CTSLABCB1JAK2JAK1KLK7
SCHEMBL18591209 1.00 CTSL (0.46) CTSLABCB1JAK2JAK1KLK7
SCHEMBL30272160 1.00 CTSL (0.46) CTSLABCB1JAK2JAK1KLK7
SCHEMBL21555085 0.90 CTSL (0.46) CTSLABCB1JAK2JAK1KLK7
SCHEMBL27264315 0.88 CTSL (0.46) CTSLABCB1JAK2JAK1KLK7
SCHEMBL12873023 0.88 CTSL (0.46) CTSLJAK2JAK1KLK7PARP1
SCHEMBL30704459 0.84 KLK7 (0.45) CTSLKLK7PARP1AGTR2PDK1
SCHEMBL20992001 0.84 CTSL (0.48) CTSLABCB1KLK7PARP1AGTR2
SCHEMBL30484629 0.84 CTSL (0.44) CTSLABCB1JAK2JAK1KLK7

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 469/4885ABCB1 1764/4885JAK2 3045/4885
US-20190336515-A1 IMMUNOPROTEASOME INHIBITORS PSMC2, PSMB7, PSMB2 CTSL 469/4885ABCB1 1764/4885JAK2 3045/4885

“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.