SCHEMBL23330930

SCHEMBL23330930

COC(=O)CCC(=O)c1cc(-c2ccsc2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.40
ADORA2A P29274 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 4/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
NR4A2 P43354 1/20 0.38
AXL P30530 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 2/20 0.38
ERN1 O75460 1/20 0.36
TSHR P16473 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
SCHEMBL23330723 0.90 KDM4E (0.40) ADORA1ADORA2AADORA3ADORA2BKDM4E
SCHEMBL23330848 0.84 HDAC6 (0.49) KDM4ELMNAHDAC6ALDH1A1KMT2A
SCHEMBL23300793 0.84 ACMSD (0.41) LMNAHDAC1HDAC6NR4A2ALDH1A1
SCHEMBL23331113 0.80 ACMSD (0.42) ADORA1ADORA2AADORA3ADORA2BHDAC1
SCHEMBL24721657 0.79 ERN1 (0.39) ADORA1ADORA2ALMNAHDAC6ALDH1A1
SCHEMBL8537176 0.78 MMP2 (0.52) ADORA1ADORA2AKDM4ELMNAHDAC1
SCHEMBL23300700 0.76 GSK3B (0.54) KDM4ELMNAMAPTALDH1A1KMT2A
SCHEMBL27605043 0.75 ACMSD (0.45) HDAC6MAPTALDH1A1ERN1
SCHEMBL23300747 0.75 KMT2A (0.43) ADORA1ADORA2AADORA3ADORA2BKDM4E
SCHEMBL24721680 0.75 LMNA (0.43) LMNAMAPTALDH1A1KMT2AHTT

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-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-02-02 US disclosed
EP-4053124-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-09-07 EP disclosed
WO-2021083060-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2021-05-06 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 (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-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF STING1, CGAS, IRF3 ADORA1 306/4885ADORA2A 377/4885ADORA3 708/4885

“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.