SCHEMBL20206570

SCHEMBL20206570

COc1cc(NC(=O)CCC(C)(C)C)cc(OC)c1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 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
SCHEMBL1948604 0.81 LMNA (0.47) ALDH1A1KMT2ARAB9AL3MBTL1MEN1
SCHEMBL22667768 0.73 TP53 (0.55) ALDH1A1NPC1RAB9AL3MBTL1POLB
SCHEMBL13233264 0.72 ALDH1A1 (0.67) NPSR1ALDH1A1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL18541207 0.71 L3MBTL1 (0.38) ALDH1A1KMT2ASMN1; SMN2RAB9AL3MBTL1
SCHEMBL18541208 0.71 MAPT (0.41) ALDH1A1KMT2ASMN1; SMN2L3MBTL1CYP2C19
SCHEMBL12926858 0.70 NPC1 (0.56) KMT2ASMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL13233328 0.70 KMT2A (0.68) NPSR1ALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL9157833 0.69 MAPT (0.60) ALDH1A1SMN1; SMN2RAB9AL3MBTL1CYP2C19
SCHEMBL15434485 0.69 MTNR1B (0.54) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL24590187 0.68 HDAC3 (0.58) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A

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 NPSR1 663/4885ALDH1A1 1285/4885KMT2A 2378/4885
US-10682419-B2 Prodrugs of peptide epoxy ketone protease inhibitors PREP, VIP, PEPD NPSR1 663/4885ALDH1A1 1285/4885KMT2A 2378/4885

“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.