SCHEMBL3347072

SCHEMBL3347072

COC(=O)CC(=O)c1ccc(Br)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.59
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
DAO P14920 1/20 0.50
NPSR1 Q6W5P4 4/20 0.49
RXFP1 Q9HBX9 3/20 0.49
GAA P10253 1/20 0.49
ESR1 P03372 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 4/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 3/20 0.46
PPARG P37231 3/20 0.46
ALDH1A1 P00352 3/20 0.46

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
SCHEMBL9879027 0.98 GSK3B (0.58) GSK3BCES2CES1DAONPSR1
SCHEMBL9879032 0.97 GSK3B (0.56) GSK3BCES2CES1DAONPSR1
SCHEMBL4059184 0.86 GSK3B (0.56) GSK3BCES2CES1DAONPSR1
SCHEMBL490430 0.85 GSK3B (0.54) GSK3BCES2CES1DAONPSR1
SCHEMBL3471710 0.83 GSK3B (0.56) GSK3BCES2CES1DAONPSR1
SCHEMBL14624168 0.81 GSK3B (0.63) GSK3BCES2CES1DAONPSR1
SCHEMBL14624174 0.81 GSK3B (0.54) GSK3BCES2CES1DAONPSR1
SCHEMBL6781684 0.80 DAO (0.52) DAOGAAKDM4EPOLBCASP3
SCHEMBL15686222 0.79 GSK3B (0.59) GSK3BCES2CES1DAONPSR1
SCHEMBL7902938 0.79 HPGD (0.38) GSK3BNPSR1GAAKDM4EKMT2A

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 38 patents — showing the first 20. 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
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
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
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
US-20150148334-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-05-28 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 WO disclosed
CN-1026234-C Thiazolidinedione derivatives for lowering blood glucose PFIZER (US) 1994-10-19 CN disclosed
EP-0332332-B1 HYPOGLYCEMIC THIAZOLIDINEDIONE DERIVATIVES PFIZER INC. (US) 1993-03-31 EP disclosed
WO-1992016565-A1 WRINKLED ABSORBENT PARTICLES OF HIGH EFFECTIVE SURFACE AREA HAVING FAST ABSORPTION RATE THE DOW CHEMICAL COMPANY (US) 1992-10-01 WO disclosed
US-5130379-A Anticholesterol agents and antidiabetic agents PFIZER INC. (US) 1992-07-14 US disclosed
US-5036079-A Anticholesterol PFIZER INC. (US) 1991-07-30 US disclosed
WO-1991003474-A1 HYPOGLYCEMIC THIAZOLIDINEDIONE DERIVATIVES PFIZER INC. (US) 1991-03-21 WO disclosed
CN-1036572-A Thiazolidinedione derivatives for lowering blood glucose PFIZER (US) 1989-10-25 CN disclosed
EP-0332332-A1 Hypoglycemic thiazolidinedione derivatives PFIZER INC. (US) 1989-09-13 EP 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 (3 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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 GSK3B 904/4885CES2 2429/4885CES1 55/4885
US-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF STING1, CGAS, IRF3 GSK3B 3353/4885CES2 3721/4885CES1 1859/4885
US-20150148334-A1 HETEROARYLS AND USES THEREOF RICTOR, AKT2, MTOR GSK3B 74/4885CES2 1393/4885CES1 1338/4885

“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.