SCHEMBL19987719

SCHEMBL19987719

COC(=O)C(=O)OC1CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.38
ALDH1A1 P00352 2/20 0.36
GPR35 Q9HC97 1/20 0.34
SERPINE1 P05121 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
NAAA Q02083 2/20 0.31
TET2 Q6N021 1/20 0.30
CYP19A1 P11511 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
TSHR P16473 1/20 0.30
EPHX2 P34913 1/20 0.30
MAPT P10636 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
SCHEMBL28168096 0.90 EPHX1 (0.44) EPHX1ALDH1A1GPR35SMN1; SMN2NAAA
SCHEMBL27595620 0.90 EPHX1 (0.48) EPHX1GPR35SMN1; SMN2NAAACYP19A1
SCHEMBL1584701 0.88 EPHX1 (0.52) EPHX1ALDH1A1GPR35SMN1; SMN2NAAA
SCHEMBL4674791 0.78
SCHEMBL697519 0.76
SCHEMBL28281707 0.76
SCHEMBL1078014 0.76 EPHX1 (0.39) EPHX1ALDH1A1SERPINE1SMN1; SMN2NAAA
SCHEMBL27799400 0.75 MAPT (0.43) EPHX1ALDH1A1GAANAAAEGLN1
SCHEMBL11591531 0.75 EPHX1 (0.50) EPHX1GPR35NAAACYP19A1
SCHEMBL5548750 0.74 EPHX1 (0.42) EPHX1GPR35SERPINE1SMN1; SMN2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111440119-A Preparation method of cabozantinib intermediate 郑州大学第一附属医院 2020-07-24 CN claimed
CN-110143917-B Preparation method of cabozantinib metabolite 郑州大学第一附属医院 2020-03-31 CN claimed
US-11498902-B2 Process for the preparation of Cabozantinib and its pharmaceutically acceptable salts thereof NATCO PHARMA LIMITED (IN) 2022-11-15 US disclosed
CN-114173787-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 杨森科学爱尔兰无限公司 2022-03-11 CN disclosed
CN-111440119-B Preparation method of cabozantinib intermediate 郑州大学第一附属医院 2021-08-24 CN disclosed
CN-111440119-B Preparation method of cabozantinib intermediate 郑州大学第一附属医院 2021-08-24 CN disclosed
US-20210188776-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF CABOZANTINIB AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF NATCO PHARMA LIMITED (IN) 2021-06-24 US disclosed
EP-3299369-B1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2020-11-11 EP disclosed
CN-107709320-B Pyrido-nitrogen heterocyclic compound and preparation method and application thereof 中国科学院上海药物研究所 2020-11-06 CN disclosed
CN-111440119-A Preparation method of cabozantinib intermediate 郑州大学第一附属医院 2020-07-24 CN disclosed
CN-111440119-A Preparation method of cabozantinib intermediate 郑州大学第一附属医院 2020-07-24 CN disclosed
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-14 US disclosed
CN-110143917-B Preparation method of cabozantinib metabolite 郑州大学第一附属医院 2020-03-31 CN disclosed
CN-110143917-B Preparation method of cabozantinib metabolite 郑州大学第一附属医院 2020-03-31 CN disclosed
EP-3299369-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2018-03-28 EP disclosed
CN-107709320-A A kind of pyrido nitrogen heterocyclic and its production and use 中国科学院上海药物研究所 2018-02-16 CN disclosed
CN-106279147-A A kind of pyrido nitrogen heterocyclic and its production and use 中国科学院上海药物研究所 2017-01-04 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-20210188776-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF CABOZANTINIB AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF FIP1L1, FGFR1, RCC1 EPHX1 3360/4885ALDH1A1 316/4885GPR35 3263/4885
US-11498902-B2 Process for the preparation of Cabozantinib and its pharmaceutically acceptable salts thereof FIP1L1, ABL1, FGFR1 EPHX1 3463/4885ALDH1A1 218/4885GPR35 3369/4885
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof MET, MERTK, DMPK EPHX1 1936/4885ALDH1A1 2733/4885GPR35 2092/4885

“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.