SCHEMBL20401414

SCHEMBL20401414

CC(C)(C)[S+]([O-])N[C@H](CCc1ccccc1)B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.42
LAP3 P28838 1/20 0.42
PRSS1 P07477 2/20 0.35
F2 P00734 1/20 0.35
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
TSHR P16473 1/20 0.31
CTSG P08311 1/20 0.30
CTRB1 P17538 1/20 0.30
CMA1 P23946 1/20 0.30

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
SCHEMBL20401416 1.00 ANPEP (0.42) ANPEPLAP3PRSS1F2SLC6A2
SCHEMBL20401419 1.00 ANPEP (0.42) ANPEPLAP3PRSS1F2SLC6A2
SCHEMBL20764142 0.87 ANPEP (0.50) ANPEPLAP3PRSS1F2CYP3A4
SCHEMBL25255083 0.82 ANPEP (0.34) ANPEPLAP3PRSS1F2CYP2D6
SCHEMBL25255086 0.82 ANPEP (0.34) ANPEPLAP3PRSS1F2CYP2D6
SCHEMBL25255081 0.82 ANPEP (0.34) ANPEPLAP3PRSS1F2CYP2D6
SCHEMBL26447831 0.78 ANPEP (0.50) ANPEPLAP3PRSS1F2SLC6A2
SCHEMBL31423666 0.76 ANPEP (0.37) ANPEPLAP3
SCHEMBL31319430 0.75
SCHEMBL31319433 0.75

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 4 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
EP-3571208-B1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2021-03-10 EP disclosed
US-20190336515-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. 2019-11-07 US disclosed
WO-2018136401-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2018-07-26 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 (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 ANPEP 368/4885LAP3 221/4885PRSS1 121/4885
US-20190336515-A1 IMMUNOPROTEASOME INHIBITORS PSMC2, PSMB7, PSMB2 ANPEP 368/4885LAP3 221/4885PRSS1 121/4885

“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.