SCHEMBL1145682

SCHEMBL1145682

COc1cccc(C(OC)C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
MTNR1A P48039 5/20 0.54
MTNR1B P49286 5/20 0.54
AOC3 Q16853 2/20 0.50
PTGS1 P23219 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
LMNA P02545 1/20 0.47
PARP1 P09874 1/20 0.46
TDP1 Q9NUW8 1/20 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
SCHEMBL29544040 1.00 L3MBTL1 (0.56) L3MBTL1MTNR1AMTNR1BAOC3PTGS1
SCHEMBL21326187 1.00 L3MBTL1 (0.56) L3MBTL1MTNR1AMTNR1BAOC3PTGS1
SCHEMBL18890289 1.00 L3MBTL1 (0.56) L3MBTL1MTNR1AMTNR1BAOC3PTGS1
SCHEMBL29544093 1.00 L3MBTL1 (0.56) L3MBTL1MTNR1AMTNR1BAOC3PTGS1
Hydrochloric Acid SCHEMBL7051120 0.98 L3MBTL1 (0.55) L3MBTL1MTNR1AMTNR1BAOC3PTGS1
SCHEMBL5045126 0.87 PTGS1 (0.67) MTNR1AMTNR1BPTGS1
SCHEMBL17295986 0.85 PTGS1 (0.45) L3MBTL1MTNR1AMTNR1BPTGS1
SCHEMBL27619948 0.85 L3MBTL1 (0.55) L3MBTL1MTNR1AMTNR1BAOC3CES2
SCHEMBL29543522 0.85 L3MBTL1 (0.63) L3MBTL1MTNR1AMTNR1BAOC3CES2
SCHEMBL2383723 0.84 NPC1 (0.56) L3MBTL1MTNR1AMTNR1BCES2CES1

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112174800-B Preparation method of 2, 5-dimethoxy phenylacetic acid 爱斯特(成都)生物制药股份有限公司 2023-07-28 CN claimed
CN-112321412-A Preparation method of 2, 5-dimethoxy phenylacetic acid 爱斯特(成都)生物制药股份有限公司 2021-02-05 CN claimed
CN-112321413-A Preparation method of 2, 5-dimethoxy phenylacetic acid 爱斯特(成都)生物制药股份有限公司 2021-02-05 CN claimed
CN-112239402-A Preparation method of 2, 5-dimethoxy phenylacetic acid 爱斯特(成都)生物制药股份有限公司 2021-01-19 CN claimed
CN-112174800-A Preparation method of 2, 5-dimethoxy phenylacetic acid 爱斯特(成都)生物制药股份有限公司 2021-01-05 CN claimed
CN-112174800-B Preparation method of 2, 5-dimethoxy phenylacetic acid 爱斯特(成都)生物制药股份有限公司 2023-07-28 CN disclosed
CN-112174800-B Preparation method of 2, 5-dimethoxy phenylacetic acid 爱斯特(成都)生物制药股份有限公司 2023-07-28 CN disclosed
CN-112174800-B Preparation method of 2, 5-dimethoxy phenylacetic acid 爱斯特(成都)生物制药股份有限公司 2023-07-28 CN disclosed
EP-3868758-B1 THIADIAZOLE DERIVATIVES AND USE THEREOF AS A GLS1 INHIBITORS FOR THE TREATMENT OF CANCER MEDSHINE DISCOVERY INC (CN) 2023-01-04 EP disclosed
CN-108349967-B 1,3, 4-thiadiazole compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2022-02-15 CN disclosed
US-11230544-B1 Substituted 1,3,4-thiadiazoles as GLS1 inhibitors MEDSHINE DISCOVERY INC. (CN) 2022-01-25 US disclosed
CN-112321413-A Preparation method of 2, 5-dimethoxy phenylacetic acid 爱斯特(成都)生物制药股份有限公司 2021-02-05 CN disclosed
WO-2017089587-A1 BIS-PYRIDAZINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-06-01 WO disclosed
WO-2017089587-A1 BIS-PYRIDAZINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-06-01 WO disclosed
EP-3148994-A1 1, 3, 4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2017-04-05 EP disclosed
WO-2015181539-A1 1, 3, 4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2015-12-03 WO disclosed
WO-2015181539-A1 1, 3, 4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2015-12-03 WO disclosed
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 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 (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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 L3MBTL1 1511/4885MTNR1A 3253/4885MTNR1B 3010/4885
US-11230544-B1 Substituted 1,3,4-thiadiazoles as GLS1 inhibitors GLS2, GLS, GYS2 L3MBTL1 2574/4885MTNR1A 1712/4885MTNR1B 1618/4885

“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.