SCHEMBL25037578

SCHEMBL25037578

C#CC(=O)OC(=O)c1cc(OC)c(OC)cc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.63
GAA P10253 3/20 0.42
POLB P06746 1/20 0.40
HMGCR P04035 1/20 0.38
HTT P42858 2/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
ALDH1A1 P00352 5/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ABL1 P00519 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
SCHEMBL23489021 0.88 KDM4E (0.50) KDM4EGAAHMGCRCYP3A4KMT2A
SCHEMBL28944983 0.86 KDM4E (0.53) KDM4EGAAPOLBHMGCRHTT
SCHEMBL11404760 0.85 KDM4E (0.79) KDM4EGAAPOLBHMGCRHTT
SCHEMBL25039490 0.84 NPC1 (0.47) KDM4EHPGD
SCHEMBL23489012 0.81 KDM4E (0.66) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL31408659 0.78 KDM4E (1.00) KDM4EGAAPOLBHTTKMT2A
SCHEMBL372600 0.78 KDM4E (1.00) KDM4EGAAPOLBHTTKMT2A
SCHEMBL11404772 0.74 KDM4E (0.61) KDM4EGAAHTTCYP3A4KMT2A
SCHEMBL2605631 0.74 KDM4E (0.71) KDM4EGAAPOLBHMGCRHTT
SCHEMBL667570 0.74 KDM4E (0.69) KDM4EGAAPOLBHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes ACADEMIA SINICA (TW) 2026-04-21 US disclosed
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (TW) 2023-02-16 US disclosed
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (TW) 2023-02-16 US disclosed
EP-4069252-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING SS-CELL PATHOGENESIS AND TREATING DIABETES Academia Sinica (CN) 2022-10-12 EP disclosed
CN-114761025-A PDIA4 inhibitor and application thereof in inhibiting beta cell pathology and treating diabetes 施明哲 2022-07-15 CN 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-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes PDIA4, PDIA5, PDIA6 KDM4E 2024/4885GAA 2125/4885POLB 4409/4885
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES PDIA4, PDIA6, PDIA5 KDM4E 1437/4885GAA 845/4885POLB 4041/4885

“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.