SCHEMBL23330720

SCHEMBL23330720

COC(=O)CC(=O)c1cc(-c2cccc3ccccc23)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PPARG P37231 7/20 0.39
PPARA Q07869 7/20 0.39
CYP2C9 P11712 1/20 0.39
PPARD Q03181 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MCL1 Q07820 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL29831685 1.00 MAPT (0.43) MAPTMEN1KMT2ANPSR1CYP2C19
SCHEMBL29831249 0.90 CYP2C19 (0.47) MAPTMEN1KMT2ANPSR1CYP2C19
SCHEMBL23330455 0.90 CYP2C19 (0.47) MAPTMEN1KMT2ANPSR1CYP2C19
SCHEMBL24722221 0.88 MAPT (0.41) MAPTMEN1KMT2ANPSR1CYP2C19
SCHEMBL24932419 0.86 MCL1 (0.44) CYP2C19HDAC8HDAC6PPARGPPARA
SCHEMBL23330544 0.83 POLQ (0.37) MAPTMEN1KMT2ANPSR1HDAC8
SCHEMBL23330718 0.82 ERN1 (0.45) MAPTCYP2C19CYP1A2HDAC8HDAC6
SCHEMBL23300727 0.82 PARP14 (0.46) MAPTMEN1KMT2ANPSR1HDAC8
SCHEMBL23300692 0.81 POLQ (0.38) MEN1KMT2AACACA
SCHEMBL23330721 0.80 HDAC6 (0.51) MAPTMEN1KMT2AHDAC6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724127-B Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2023-02-17 CN disclosed
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
CN-114829357-A Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2022-07-29 CN 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
CN-112724127-A Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2021-04-30 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 (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 MAPT 4415/4885MEN1 1799/4885KMT2A 4730/4885

“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.