SCHEMBL22364451

SCHEMBL22364451

COCCOCC(=O)OC(C)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
GAA P10253 2/20 0.41
MAPT P10636 5/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PTGS2 P35354 1/20 0.40
PTPN7 P35236 1/20 0.40
PTPN12 Q05209 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 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
SCHEMBL22364373 0.99 HTR2A (0.45) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL2236767 0.90 HTR2A (0.45) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL2234018 0.88 HTR2A (0.43) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL12348662 0.88 HTR2A (0.43) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL4644751 0.84 BCL9 (0.58) BCL9CTNNB1GAAMAPTKMT2A
SCHEMBL12348657 0.84 HTR2A (0.40) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL16884938 0.82 HTR2A (0.48) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL2235137 0.82 BCL9 (0.56) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL15459741 0.81 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL2232640 0.81 BCL9 (0.51) HTR2ABCL9CTNNB1GAAMAPT

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-11618731-B2 Prodrugs of kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-04-04 US disclosed
EP-3532057-B1 PRODRUGS OF KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2022-12-21 EP disclosed
US-20210198204-A1 PRODRUGS OF KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-07-01 US disclosed
US-10759759-B2 Prodrugs of kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-09-01 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 (3 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-20210198204-A1 PRODRUGS OF KALLIKREIN INHIBITORS KLKB1, SERPINB1, KLK1 HTR2A 3658/4885BCL9 3154/4885CTNNB1 4201/4885
US-11618731-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 HTR2A 3658/4885BCL9 3154/4885CTNNB1 4201/4885
US-10759759-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 HTR2A 3658/4885BCL9 3154/4885CTNNB1 4201/4885

“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.