Sugi Predict

Sugi Predict / Compounds / SCHEMBL2651775

SCHEMBL2651775

SCHEMBL2651775

CCO/C=C/C(=O)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.39
▸ HCAR2 Q8TDS4 2/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ MGAM O43451 1/20 0.31
▸ SI P14410 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TET2 Q6N021 1/20 0.30
▸ EGLN1 Q9GZT9 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
SCHEMBL2651778 1.00 CASP1 (0.39) CASP1HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL9084392 0.84 CASP1 (0.44) CASP1HCAR2ALDH1A1GAAMGAM
SCHEMBL8593221 0.84 CASP1 (0.44) CASP1HCAR2ALDH1A1GAAMGAM
SCHEMBL7070479 0.83 HCAR2 (0.34) HCAR2KEAP1NFE2L2
SCHEMBL983248 0.83 NPSR1 (0.42) CASP1HCAR2ALDH1A1GAAMGAM
SCHEMBL983246 0.83 NPSR1 (0.42) CASP1HCAR2ALDH1A1GAAMGAM
SCHEMBL7067820 0.80 ATM (0.42) HCAR2ALDH1A1MAPTKMT2A
SCHEMBL1790417 0.80 ATM (0.42) HCAR2ALDH1A1MAPTKMT2A
SCHEMBL12777528 0.79 HCAR2 (0.40) HCAR2
SCHEMBL7073650 0.78 HCAR2 (0.41) CASP1HCAR2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6570015-B2 Reacting alpha-keto ester with an isothiourea UBE INDUSTRIES, LTD. (JP) 2003-05-27 — — US claimed
US-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate UBE INDUSTRIES, LTD. (JP) 2003-03-20 — — US claimed
EP-4017593-B1 BICYCLIC AGONISTS OF STIMULATOR OF INTERFERON GENES STING SCRIPPS RESEARCH INST (US) 2025-07-23 — — EP disclosed
CN-115003383-B Bicyclic agonists of the interferon Gene stimulator STING 斯克里普斯研究学院 2024-10-01 — — CN disclosed
US-20220332720-A1 BICYCLIC AGONISTS OF STIMULATOR OF INTERFERON GENES STING THE SCRIPPS RESEARCH INSTITUTE 2022-10-20 — — US disclosed
CN-115003383-A Bicyclic agonists of interferon gene stimulator STING 斯克里普斯研究学院 2022-09-02 — — CN disclosed
EP-4017593-A1 BICYCLIC AGONISTS OF STIMULATOR OF INTERFERON GENES STING The Scripps Research Institute (US) 2022-06-29 — — EP disclosed
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 — — EP disclosed
US-6900215-B2 For therapy of disorders of central nervous system, including anxiety, convulsions and cognitive disorders MERCK SHARP & DOHME LTD. (GB) 2005-05-31 — — US disclosed
EP-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 — — EP disclosed
US-6642229-B2 Treatment of adverse neurological conditions MERCK SHARP & DOHME LTD. 2003-11-04 — — US disclosed
US-20030176449-A1 3-Phenyl-imidazo-pyrimidine derivatives as ligands for gaba receptors APPLIED MEDICAL RESOURCES CORPORATION 2003-09-18 — — US disclosed
US-6570015-B2 Reacting alpha-keto ester with an isothiourea UBE INDUSTRIES, LTD. (JP) 2003-05-27 — — US disclosed
EP-1294723-A1 3-PHENYL-IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-03-26 — — EP disclosed
US-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate UBE INDUSTRIES, LTD. (JP) 2003-03-20 — — US disclosed
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 — — US disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 — — WO disclosed
WO-2001090108-A1 3-PHENYL-IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-11-29 — — WO disclosed
US-5082949-A Plant growth regulators, protective agents HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-21 — — US disclosed
US-4891057-A Phenylpyrazolecarboxylic acid derivatives, their preparation, and their use as plant-growth regulators and safeners HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-02 — — 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 (4 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-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA2 CASP1 1201/4885HCAR2 101/4885KEAP1 1452/4885
US-20220332720-A1 BICYCLIC AGONISTS OF STIMULATOR OF INTERFERON GENES STING STING1, IRF3, IFNAR1 CASP1 345/4885HCAR2 516/4885KEAP1 1052/4885
US-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate DHFR, TYMS, DPYD CASP1 1516/4885HCAR2 672/4885KEAP1 901/4885
US-20030176449-A1 3-Phenyl-imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABBR2, GABRA2 CASP1 2160/4885HCAR2 30/4885KEAP1 2363/4885

“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.