SCHEMBL22734480

SCHEMBL22734480

CC(C)(C)C(=O)OC(=O)/C=C/c1cccnn1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.34
CYP11B2 P19099 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCE Q02156 1/20 0.31
RASGRP3 Q8IV61 1/20 0.31
P2RX7 Q99572 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL23600907 0.83 PADI4 (0.33) PADI4CTDSP1
SCHEMBL22735021 0.82 HSP90AA1 (0.47) PADI4PRKCAPRKCERASGRP3HSP90AA1
SCHEMBL18707135 0.80 CA12 (0.45) P2RX7
SCHEMBL18707137 0.80 CA12 (0.45) P2RX7
SCHEMBL15764960 0.77 CA12 (0.49) CTDSP1
SCHEMBL22735131 0.74 RAB9A (0.58)
SCHEMBL21039220 0.74 NPC1 (0.34) PADI4
SCHEMBL2491722 0.73 KDM4E (0.46) PADI4CYP11B2P2RX7HSP90AA1
SCHEMBL2491724 0.73 KDM4E (0.46) PADI4CYP11B2P2RX7HSP90AA1
SCHEMBL21040509 0.73 JUN (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 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 (1 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-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF SHARPIN, PIR, THPO PADI4 1078/4885CYP11B2 3248/4885CTDSP1 4181/4885

“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.