SCHEMBL20118291

SCHEMBL20118291

CC(C)(C)OC(=O)CCCOC(=O)NC(=N)c1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4D Q08499 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
SCN1A P35498 2/20 0.36
SCN2A Q99250 2/20 0.36
SCN3A Q9NY46 2/20 0.36
CYP2D6 P10635 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL22382076 0.93 ADRB2 (0.39) LMNACYP1A2CYP3A4TSHRCYP2C9
SCHEMBL20118503 0.84 ADRB2 (0.39) LMNACYP1A2CYP3A4TSHRCYP2C9
SCHEMBL20118444 0.83 CA12 (0.49) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL24763821 0.82 ADRB2 (0.37) LMNACYP1A2CYP3A4TSHRCYP2C9
SCHEMBL20118671 0.81 NPC1 (0.46) LMNACYP1A2CYP3A4TSHRCYP2C9
SCHEMBL7438712 0.80 ADRB2 (0.40) LMNACYP1A2CYP3A4MAPTADRB2
SCHEMBL7061424 0.79 NPC1 (0.63) LMNACYP1A2CYP3A4TSHRCYP2C9
SCHEMBL7057167 0.79 NPC1 (0.63) LMNACYP1A2CYP3A4TSHRCYP2C9
SCHEMBL20118660 0.78 LMNA (0.49) LMNACYP1A2CYP3A4TSHRCYP2C9
SCHEMBL20118288 0.78 RAB9A (0.36) TSHRNPC1RAB9AMAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 1628/4885CYP1A2 516/4885CYP3A4 773/4885
US-10759759-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 LMNA 1628/4885CYP1A2 516/4885CYP3A4 773/4885

“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.