SCHEMBL2121202

SCHEMBL2121202

O=COC(=O)/C=C/C(=O)OC=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ATM Q13315 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
SCHEMBL5379213 1.00 HCAR2 (0.42) HCAR2KEAP1NFE2L2ATM
SCHEMBL1203690 0.88 HCAR2 (0.52) HCAR2KEAP1NFE2L2ATM
SCHEMBL9245442 0.86 KEAP1 (0.33) HCAR2KEAP1NFE2L2
SCHEMBL1695499 0.82
SCHEMBL1695500 0.82
SCHEMBL2043030 0.79
SCHEMBL13390888 0.76
SCHEMBL13657268 0.74 ALDH1A1 (0.48)
SCHEMBL6129816 0.74 ALDH1A1 (0.35)
SCHEMBL584332 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108947808-B Preparation method of stannous octoate 盘锦洪鼎化工有限公司 2021-09-28 CN claimed
CN-101312973-B Indolizine derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2011-12-28 CN claimed
CN-101312973-A Indolizine derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI AVENTIS (FR) 2008-11-26 CN claimed
WO-2006020663-A2 AEROBIC SUCCINATE PRODUCTION IN BACTERIA RICE UNIVERSITY (US) 2006-02-23 WO claimed
US-20060040368-A1 Aerobic succinate production in bacteria NATIONAL SCIENCE FOUNDATION 2006-02-23 US claimed
CN-1602868-A Dripping pills of ketotifen fumarate and its preparation method NANCHANG HELIOEAST SCIENCE & TECHNOLOGY CO LTD (CN) 2005-04-06 CN claimed
WO-2023196399-A1 LIPID NANOPARTICLES AND POLYNUCLEOTIDES ENCODING ARGININOSUCCINATE LYASE FOR THE TREATMENT OF ARGININOSUCCINIC ACIDURIA MODERNATX, INC. (US) 2023-10-12 WO disclosed
EP-3911624-A1 SYNTHESIS OF ORGANIC ACIDS FROM ALPHA-KETO ACIDS Furman University (US) 2021-11-24 EP disclosed
CN-108947808-B Preparation method of stannous octoate 盘锦洪鼎化工有限公司 2021-09-28 CN disclosed
US-11008305-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-05-18 US disclosed
WO-2020150568-A1 SYNTHESIS OF ORGANIC ACIDS FROM ALPHA-KETO ACIDS FURMAN UNIVERSITY (US) 2020-07-23 WO disclosed
US-20200231527-A1 SYNTHESIS OF ORGANIC ACIDS FROM ALPHA-KETO ACIDS FURMAN UNIVERSITY 2020-07-23 US disclosed
US-20200062732-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-02-27 US disclosed
CN-1602868-A Dripping pills of ketotifen fumarate and its preparation method NANCHANG HELIOEAST SCIENCE & TECHNOLOGY CO LTD (CN) 2005-04-06 CN disclosed
CN-1381456-A Pyrimidine-4-keto compound, its preparation method and medicine composition containing them SIRVIR LAB (FR) 2002-11-27 CN disclosed
CN-1087934-C Use of phenalkylamines HOFFMANN LA ROCHE (CH) 2002-07-24 CN disclosed
CN-1103781-A Use of phenalkylamines HOFFMANN LA ROCHE (CH) 1995-06-21 CN disclosed
CN-1017706-B Process for preparing 1, 5-benzothiazepine derivatives TANABE SEIYAKU CO (JP) 1992-08-05 CN disclosed
CN-1017151-B PROCESSES FOR PREPARING NAPHTHOTHIAZEPINE DERIVATIVE TANABE SEIYAKU CO (JP) 1992-06-24 CN disclosed
CN-85103524-A Process for preparing 1, 5-benzothiazine derivatives 1986-11-05 CN 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 (3 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-20200231527-A1 SYNTHESIS OF ORGANIC ACIDS FROM ALPHA-KETO ACIDS HOGA1, BCKDK, PCCA HCAR2 340/4885KEAP1 2252/4885NFE2L2 2484/4885
US-11008305-B2 DNA-PK inhibitors POLK, DTYMK, DCK HCAR2 3919/4885KEAP1 1279/4885NFE2L2 3337/4885
US-20200062732-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK HCAR2 3919/4885KEAP1 1279/4885NFE2L2 3337/4885

“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.