SCHEMBL20118274

SCHEMBL20118274

CC(OC(=O)NC(=N)c1ccc(N)cc1)OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
CYP1A2 P05177 2/20 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
SCHEMBL20118514 0.83 SCN1A (0.37) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL20118778 0.83 KMT2A (0.44) NPC1RAB9ALMNAALDH1A1HTT
SCHEMBL20118541 0.82 SCN1A (0.39) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL20118547 0.80 LMNA (0.41) NPC1RAB9ALMNAALDH1A1HTT
SCHEMBL4334155 0.80 LMNA (0.55) NPC1RAB9ALMNAALDH1A1PDCD1
SCHEMBL7062605 0.76 PLAU (0.43) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL6660758 0.76 TSHR (0.63) NPC1RAB9ALMNAALDH1A1HTT
SCHEMBL12132619 0.75 LMNA (0.50) NPC1RAB9ALMNAALDH1A1HTT
SCHEMBL20118384 0.75 SLC1A3 (0.44) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL10885498 0.75 PDCD1 (0.49) NPC1RAB9ALMNAALDH1A1HTT

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 8 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
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-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
US-10759759-B2 Prodrugs of kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-09-01 US disclosed
WO-2018081513-A1 PRODRUGS OF KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2018-05-03 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 (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 NPC1 969/4885RAB9A 2541/4885LMNA 1628/4885
US-11618731-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 NPC1 969/4885RAB9A 2541/4885LMNA 1628/4885
US-10759759-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 NPC1 969/4885RAB9A 2541/4885LMNA 1628/4885

“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.