SCHEMBL20118503

SCHEMBL20118503

CC(C)(C)OC(=O)[C@@H](O)CCCOC(=O)NC(=N)c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE4D Q08499 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
SCN1A P35498 2/20 0.35
SCN2A Q99250 2/20 0.35
SCN3A Q9NY46 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2D6 P10635 2/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL20118291 0.84 LMNA (0.40) ADRB2ADRB1ADRB3LMNACYP1A2
SCHEMBL22382076 0.81 ADRB2 (0.39) ADRB2ADRB1ADRB3LMNACYP1A2
SCHEMBL20118444 0.81 CA12 (0.49) NPC1RAB9AALDH1A1MAPTGAA
SCHEMBL20118671 0.79 NPC1 (0.46) ADRB2ADRB1ADRB3LMNACYP1A2
SCHEMBL7438712 0.79 ADRB2 (0.40) ADRB2ADRB1ADRB3LMNACYP1A2
SCHEMBL7057167 0.77 NPC1 (0.63) LMNACYP1A2CYP3A4TSHRCYP2C9
SCHEMBL7061424 0.77 NPC1 (0.63) LMNACYP1A2CYP3A4TSHRCYP2C9
SCHEMBL20118660 0.76 LMNA (0.49) ADRB2ADRB1ADRB3LMNACYP1A2
SCHEMBL22382109 0.76 CA2 (0.41) ADRB2ADRB1ADRB3SCN1ASCN2A
SCHEMBL20118830 0.75 NPC1 (0.47) ADRB2ADRB1ADRB3LMNACYP1A2

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
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
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 (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-20210198204-A1 PRODRUGS OF KALLIKREIN INHIBITORS KLKB1, SERPINB1, KLK1 ADRB2 2159/4885ADRB1 2074/4885ADRB3 1543/4885
US-10759759-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 ADRB2 2159/4885ADRB1 2074/4885ADRB3 1543/4885

“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.