SCHEMBL4192225

SCHEMBL4192225

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

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.41
HCAR2 Q8TDS4 2/20 0.37
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4192228 1.00 CASP1 (0.41) CASP1HCAR2ALDH1A1
SCHEMBL8593221 0.87 CASP1 (0.44) CASP1HCAR2ALDH1A1
SCHEMBL9084392 0.87 CASP1 (0.44) CASP1HCAR2ALDH1A1
SCHEMBL20223367 0.81 CASP1 (0.41) CASP1HCAR2ALDH1A1
SCHEMBL278041 0.80
SCHEMBL20589645 0.80
SCHEMBL932916 0.80
SCHEMBL18037713 0.79 CASP1 (0.40) CASP1HCAR2
SCHEMBL16371556 0.79 CASP1 (0.40) CASP1HCAR2
SCHEMBL10671631 0.78 HCAR2 (0.48) CASP1HCAR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114302886-B Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-03-22 CN disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
EP-4017593-A1 BICYCLIC AGONISTS OF STIMULATOR OF INTERFERON GENES STING The Scripps Research Institute (US) 2022-06-29 EP disclosed
US-11344637-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2022-05-31 US disclosed
EP-3340796-B1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2021-04-21 EP disclosed
US-20210060187-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2021-03-04 US disclosed
WO-2021035258-A1 BICYCLIC AGONISTS OF STIMULATOR OF INTERFERON GENES STING THE SCRIPPS RESEARCH INSTITUTE (US) 2021-02-25 WO disclosed
CN-107531669-B Pyridazine derivatives as RORc modulators 豪夫迈·罗氏有限公司 2020-12-18 CN disclosed
US-10765764-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2020-09-08 US disclosed
US-20190167821-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2019-06-06 US disclosed
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2015-04-30 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
EP-1824828-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS Peakdale Molecular Limited (GB) 2007-08-29 EP disclosed
WO-2006059103-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS PEAKDALE MOLECULAR LIMITED (GB) 2006-06-08 WO disclosed
EP-0957097-B1 Process for the preparation pf 3-isoxazolecarboxylic acid SHIONOGI & CO (JP) 2002-08-28 EP disclosed
EP-0739885-B1 PROCESS FOR PRODUCING 3-ISOXAZOLECARBOXYLIC ACID SHIONOGI & CO (JP) 2000-04-19 EP disclosed
EP-0957097-A1 Process for the preparation pf 3-isoxazolecarboxylic acid SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1999-11-17 EP disclosed
US-5760244-A Process for the preparation of 3-isoxazolecarboxylic acid SHIONOGI & CO., LTD. (JP) 1998-06-02 US disclosed
US-5696271-A Process for the preparation of 3-isoxazolecarboxylic acid SHIONOGI & CO., LTD. (JP) 1997-12-09 US disclosed
EP-0739885-A1 PROCESS FOR PRODUCING 3-ISOXAZOLECARBOXYLIC ACID SHIONOGI & CO., LTD. (JP) 1996-10-30 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 (7 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-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 CASP1 2182/4885HCAR2 1473/4885ALDH1A1 440/4885
US-11344637-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 CASP1 2672/4885HCAR2 1038/4885ALDH1A1 3976/4885
US-20210060187-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 CASP1 2672/4885HCAR2 1038/4885ALDH1A1 3976/4885
US-20190167821-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 CASP1 2672/4885HCAR2 1038/4885ALDH1A1 3976/4885
US-10765764-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 CASP1 2672/4885HCAR2 1038/4885ALDH1A1 3976/4885
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, F2RL1 CASP1 442/4885HCAR2 495/4885ALDH1A1 1921/4885
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PNPO, CYP4B1, PDXK CASP1 1570/4885HCAR2 1524/4885ALDH1A1 290/4885

“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.