SCHEMBL20206569

SCHEMBL20206569

COc1ccc(C(=O)NCC(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.53
EPHX2 P34913 1/20 0.53
RARA P10276 2/20 0.49
RARB P10826 2/20 0.49
RARG P13631 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
WDR5 P61964 1/20 0.46
CNR2 P34972 3/20 0.46
CNR1 P21554 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL8609153 0.83 EPHX2 (0.51) NR1H4EPHX2RARARARBRARG
SCHEMBL19818476 0.83 KMT2A (0.54) NR1H4EPHX2RARARARBRARG
SCHEMBL25950796 0.82 RARA (0.53) NR1H4EPHX2RARARARBRARG
SCHEMBL8606761 0.81 NR1H4 (0.49) NR1H4EPHX2RARARARBRARG
SCHEMBL20682518 0.81 TMEM97 (0.53) NR1H4EPHX2KMT2ASMN1; SMN2NPC1
SCHEMBL8606766 0.81 POLB (0.52) NR1H4EPHX2MEN1KMT2ANPC1
SCHEMBL20206539 0.81 CNR2 (0.52) NR1H4EPHX2MEN1KMT2ACNR2
SCHEMBL9453203 0.80 NR1H4 (0.82) NR1H4EPHX2RARARARBRARG
SCHEMBL19818454 0.79 CNR2 (0.47) NR1H4EPHX2CNR2CNR1SMN1; SMN2
SCHEMBL5027170 0.79 MAPT (0.58) RARARARBRARGMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10682419-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2020-06-16 US disclosed
US-20180147291-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2018-05-31 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 (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-20180147291-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, VIP, PEPD NR1H4 870/4885EPHX2 112/4885RARA 3889/4885
US-10682419-B2 Prodrugs of peptide epoxy ketone protease inhibitors PREP, VIP, PEPD NR1H4 870/4885EPHX2 112/4885RARA 3889/4885

“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.