SCHEMBL819797

SCHEMBL819797

CC(C)(C)OC(=O)n1ccc2cc(F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.46
ABL1 P00519 2/20 0.46
EGFR P00533 2/20 0.46
HCK P08631 2/20 0.46
SRC P12931 2/20 0.46
KDR P35968 2/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
MTOR P42345 2/20 0.46
PIK3CG P48736 2/20 0.46
EPHB4 P54760 2/20 0.46
PRKDC P78527 2/20 0.46
PI4KB Q9UBF8 2/20 0.46
TFPI2 P48307 1/20 0.44
BUB1 O43683 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACLY P53396 1/20 0.40

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
SCHEMBL18805035 1.00 PIK3CD (0.46) PIK3CDABL1EGFRHCKSRC
SCHEMBL7218364 0.88 BUB1 (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL30711678 0.88 BUB1 (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL3269495 0.84 PIK3CD (0.47) PIK3CDABL1EGFRHCKSRC
SCHEMBL1273077 0.84 HTR6 (0.49) PIK3CDABL1EGFRHCKSRC
SCHEMBL31424162 0.84 ACLY (0.43) PIK3CDABL1EGFRHCKSRC
SCHEMBL30147588 0.84 ACLY (0.43) PIK3CDABL1EGFRHCKSRC
SCHEMBL15218078 0.83 MAP2K4 (0.45) PIK3CDABL1EGFRHCKSRC
SCHEMBL312329 0.82 PIK3CD (0.51) PIK3CDABL1EGFRHCKSRC
SCHEMBL2006239 0.82 OXER1 (0.50) PIK3CDABL1EGFRHCKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115843271-B Indole derivatives and their use for the treatment of cancer 克洛德贝纳尔-里昂第一大学 2024-08-13 CN disclosed
WO-2023207911-A1 BICYCLIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND APPLICATION 上海医药集团股份有限公司 2023-11-02 WO disclosed
CN-116925106-A Bicyclic heterocyclic compound, pharmaceutical composition and application 上海医药集团股份有限公司 2023-10-24 CN disclosed
CN-116829546-A Novel heteroaryl substituted imidazole derivatives 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
CN-115843271-A Indole derivatives and their use for the treatment of cancer 克洛德贝纳尔-里昂第一大学 2023-03-24 CN disclosed
US-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-02-02 US disclosed
EP-4053124-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-09-07 EP disclosed
WO-2021083060-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2021-05-06 WO disclosed
WO-2021083060-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2021-05-06 WO disclosed
EP-3434668-B1 INDOLO-SUBSTITUTED-PIPERIDINE COMPOUNDS AS ESTROGEN RECEPTOR DEGRADING AGENT LUOXIN PHARMACEUTICAL SHANGHAI CO LTD (CN) 2020-08-26 EP disclosed
CN-102272077-A Fluorination of organic compounds 2011-12-07 CN disclosed
EP-2376408-A2 FLUORINATION OF ORGANIC COMPOUNDS President and Fellows of Harvard College (US) 2011-10-19 EP disclosed
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-03-03 US disclosed
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-03-03 US disclosed
US-20100267707-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-21 US disclosed
WO-2010059943-A2 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-05-27 WO disclosed
WO-2010059943-A2 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-05-27 WO disclosed
WO-2009100014-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-08-13 WO disclosed
EP-2040546-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2009-04-01 EP disclosed
WO-2007149427-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-12-27 WO 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-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF STING1, CGAS, IRF3 PIK3CD 1725/4885ABL1 2905/4885EGFR 3349/4885
US-20100267707-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET PIK3CD 262/4885ABL1 1/4885EGFR 13/4885
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PFAS, ODC1, AOC1 PIK3CD 1134/4885ABL1 261/4885EGFR 1596/4885

“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.