SCHEMBL22370754

SCHEMBL22370754

CC(C)(C)[C@@]1(CNC(=O)Oc2ccc([N+](=O)[O-])cc2)CCCCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.47
THRB P10828 2/20 0.43
TP53 P04637 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 2/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
FAAH O00519 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
GAA P10253 1/20 0.38
HTR2A P28223 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
SCHEMBL23456731 0.77 MGLL (0.45) MGLLTHRBTP53LMNABCL9
SCHEMBL4433141 0.75 MGLL (0.52) MGLLTHRBTP53LMNAALDH1A1
SCHEMBL3335231 0.74 MGLL (0.50) MGLLTHRBTP53LMNAKDM4E
SCHEMBL25381206 0.73 MGLL (0.56) MGLLTHRBTP53CYP1A2MAPT
SCHEMBL31414904 0.72 MGLL (0.53) MGLLTHRBTP53ALDH1A1CYP1A2
SCHEMBL31691629 0.72 MEN1 (0.45) MGLLTHRBLMNAKDM4EALDH1A1
SCHEMBL28735361 0.71 HTT (0.40) THRBLMNATDP1MAPTMEN1
SCHEMBL31414907 0.70 MGLL (0.56) MGLLTHRBMAPTBCL9CTNNB1
SCHEMBL27838824 0.70 MGLL (0.60) MGLLALDH1A1CYP1A2MAPTBCL9
SCHEMBL24951944 0.70 MGLL (0.57) MGLLTHRBTP53LMNAKDM4E

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-12312370-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2025-05-27 US disclosed
US-20240199655-A1 Immunoproteasome Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2024-06-20 US disclosed
US-11827656-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2023-11-28 US disclosed
US-20220073538-A1 Immunoproteasome Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2022-03-10 US disclosed
US-11225493-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2022-01-18 US disclosed
US-20200277312-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. 2020-09-03 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 (6 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-11827656-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 MGLL 2433/4885THRB 4779/4885TP53 914/4885
US-20240199655-A1 Immunoproteasome Inhibitors PSMC2, PSMB7, PSMB2 MGLL 2433/4885THRB 4779/4885TP53 914/4885
US-20200277312-A1 IMMUNOPROTEASOME INHIBITORS PSMC2, PSMB7, PSMB2 MGLL 2433/4885THRB 4779/4885TP53 914/4885
US-12312370-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 MGLL 2433/4885THRB 4779/4885TP53 914/4885
US-11225493-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 MGLL 2433/4885THRB 4779/4885TP53 914/4885
US-20220073538-A1 Immunoproteasome Inhibitors PSMC2, PSMB7, PSMB2 MGLL 2433/4885THRB 4779/4885TP53 914/4885

“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.