SCHEMBL589408

SCHEMBL589408

COC(=O)C=C(CCl)OC

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL589407 1.00 HCAR2 (0.42) HCAR2KEAP1NFE2L2TSHRSMN1; SMN2
SCHEMBL1066497 1.00 HCAR2 (0.42) HCAR2KEAP1NFE2L2TSHRSMN1; SMN2
SCHEMBL9777204 0.83 NPSR1 (0.48) HCAR2SMN1; SMN2
SCHEMBL17469589 0.83 NPSR1 (0.48) HCAR2SMN1; SMN2
SCHEMBL9718471 0.83 ALDH1A1 (0.41) HCAR2KEAP1NFE2L2SMN1; SMN2
SCHEMBL9718465 0.83 ALDH1A1 (0.41) HCAR2KEAP1NFE2L2SMN1; SMN2
SCHEMBL9777200 0.83 NPSR1 (0.48) HCAR2SMN1; SMN2
SCHEMBL9718475 0.83 ALDH1A1 (0.41) HCAR2KEAP1NFE2L2SMN1; SMN2
SCHEMBL4147346 0.81
SCHEMBL1427568 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114685274-A Esterification method for preparing 4-methyl chloroacetoacetate 江西迪赛诺制药有限公司 2022-07-01 CN disclosed
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-02 US disclosed
US-8604039-B2 Dihydrothienopyrimidines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-10 US disclosed
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. 2013-10-31 US disclosed
US-8497278-B2 Imidazo[1,2-a]pyridine compounds SUNOVION PHARMACEUTICALS INC. (US) 2013-07-30 US disclosed
US-8334282-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2012-12-18 US disclosed
EP-2010185-B1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INT (DE) 2012-06-13 EP disclosed
EP-2088150-B1 Fused pyrrolocarbazoles and methods for the preparation thereof CEPHALON INC (US) 2012-06-06 EP disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
US-5276164-A Process for the production of 4-hydroxy-2-oxopyrrolidin-1-yl-acetamide LONZA LTD. (CH) 1994-01-04 US disclosed
US-5113012-A PROCESS FOR THE PRODUCTION OF 1,3-CYCLOPENTANEDIONE LONZA LTD. (CH) 1992-05-12 US disclosed
US-5087760-A PROCESS FOR THE PRODUCTION OF 1,3-CYCLOPENTANEDIONE LONZA LTD. (CH) 1992-02-11 US disclosed
US-4966989-A KETALIZATION AND ESTERIFICATION OF 4-CHLOROACETOACETYL CHLORIDE WITH AN ALCOHOL AND A DIALKYL SULFITE LONZA LTD. (CH) 1990-10-30 US disclosed
US-4931570-A Process for the production of 4-alkoxy-2(5H) thiophenones LONZA LTD. (CH) 1990-06-05 US disclosed
US-4906759-A Process for the production of 4-alkoxy-2(5H) thiophenones LONZA LTD. (CH) 1990-03-06 US disclosed
US-4906765-A Process for the production of 4-alkoxy-2(5H) thiophenones LONZA LTD. (CH) 1990-03-06 US disclosed
US-4880940-A 4-alkoxy-3-pyrrolin-2-on-1-yl acetic acid alkyl esters LONZA LTD. (CH) 1989-11-14 US disclosed
US-4788294-A Process for the production of 4-alkoxy-3-pyrrolin-2-ones LONZA LTD. (CH) 1988-11-29 US disclosed
US-4780545-A Production of 4-alkoxy-3-pyrrolin-2-on-1-yl acetic acid alkyl esters LONZA LTD. (CH) 1988-10-25 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-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD HCAR2 1479/4885KEAP1 3235/4885NFE2L2 2580/4885
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases DPYD, TYMS, TPMT HCAR2 418/4885KEAP1 1137/4885NFE2L2 1020/4885

“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.