SCHEMBL2107596

SCHEMBL2107596

CS(=O)(=O)Nc1ccc(-c2coc3cc(OCc4cccc(C(=O)O)c4)ccc3c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 17/20 0.54
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
MAOA P21397 10/20 0.50
MAOB P27338 10/20 0.50
MRGPRX4 Q96LA9 1/20 0.50

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
SCHEMBL30562191 1.00 ALDH2 (0.54) ALDH2ALDH1A1MAPTMAOAMAOB
SCHEMBL29434200 1.00 ALDH2 (0.54) ALDH2ALDH1A1MAPTMAOAMAOB
SCHEMBL2107625 0.92 ALDH2 (0.52) ALDH2ALDH1A1MAPTMAOAMAOB
SCHEMBL2107782 0.92 ALDH2 (0.51) ALDH2ALDH1A1MAPTMAOAMAOB
SCHEMBL2107287 0.90 ALDH2 (0.53) ALDH2ALDH1A1MAPTMAOAMAOB
SCHEMBL2109208 0.90 ALDH2 (0.51) ALDH2ALDH1A1MAPTMAOAMAOB
SCHEMBL2110736 0.90 ALDH2 (0.49) ALDH2ALDH1A1MAPTMAOAMAOB
SCHEMBL2110738 0.89 ALDH2 (0.49) ALDH2ALDH1A1MAPTMAOAMAOB
SCHEMBL2107964 0.89 ALDH2 (0.53) ALDH2ALDH1A1MAPTMAOAMAOB
SCHEMBL2110415 0.88 ALDH2 (0.53) ALDH2ALDH1A1MAPTMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220117916-A1 Combination Products to Mitigate the Risk of Non-Benzodiazepine Benzodiazepine Agonist Adverse Reaction and Overdose SAFERX PHARMACEUTICALS LLC (US) 2022-04-21 US claimed
CN-113543777-A Pharmaceutical composition for preventing or treating acidosis 哈林生物有限公司 2021-10-22 CN claimed
CN-113382727-A Pharmaceutical composition for administration in combination with acidosis-causing drug 哈林生物有限公司 2021-09-10 CN claimed
WO-2021141425-A1 PHARMACEUTICAL COMPOSITION, FOR PREVENTING AND TREATING HEMATOLOGICAL CANCER, COMPRISING BIGUANIDE-BASED COMPOUND AS ACTIVE INGREDIENT 주식회사 하임바이오 2021-07-15 WO claimed
US-20210161835-A1 Combination Treatments for Opioid Crisis PRESTI MICHAEL (US) 2021-06-03 US claimed
US-10881625-B2 Combination treatments for opioid crisis PRESTI MICHAEL (US) 2021-01-05 US claimed
WO-2020213939-A1 PHARMACEUTICAL COMPOSITION FOR CO-ADMINISTRATION OF ANTICANCER DRUG 주식회사 진센 2020-10-22 WO claimed
WO-2020213938-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CANCER COMPRISING SAPONIN AS ACTIVE INGREDIENT 주식회사 진센 2020-10-22 WO claimed
US-10478408-B2 Combination treatments for opioid crisis PRESTI MICHAEL (US) 2019-11-19 US claimed
US-20190231719-A1 COMBINATION TREATMENTS FOR OPIOID CRISIS PRESTI MICHAEL (US) 2019-08-01 US claimed
EP-2254878-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION Gilead Palo Alto, Inc. (US) 2010-12-01 EP claimed
EP-2231149-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV Therapeutics Inc. (US) 2010-09-29 EP claimed
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2009-08-20 US claimed
WO-2009094028-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2009-07-30 WO claimed
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS AMYGDALA NEUROSCIENCES, INC. 2009-05-14 US claimed
WO-2009061924-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV THERAPEUTICS, INC. (US) 2009-05-14 WO claimed
EP-2046769-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2009-04-15 EP claimed
US-20080207610-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-08-28 US claimed
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-02-07 US claimed
WO-2008014497-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2008-01-31 WO claimed

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-20080207610-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION ALDH1A1, ADH1A, ALDH3A1 ALDH2 5/4885ALDH1A1 1/4885MAPT 1815/4885
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION ALDH1A1, ADH1A, ALDH3A1 ALDH2 5/4885ALDH1A1 1/4885MAPT 1815/4885
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION ALDH1A1, ADH1A, ALDH3A1 ALDH2 4/4885ALDH1A1 1/4885MAPT 1778/4885
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS ALDH2, ALDH1A2, ALDH1A1 ALDH2 1/4885ALDH1A1 3/4885MAPT 2549/4885

“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.