SCHEMBL4395652

SCHEMBL4395652

O=C1CC(OC(=O)C(F)(F)F)C(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.39
MEN1 O00255 1/20 0.31
APEX1 P27695 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL17509778 0.78 CRBN (0.33) MAP3K14DDB1CRBN
SCHEMBL3949247 0.77 MAP3K14 (0.40) MAP3K14MEN1APEX1KMT2ATDP1
SCHEMBL7264550 0.77 MAP3K14 (0.40) MAP3K14MEN1APEX1KMT2ATDP1
SCHEMBL11211758 0.77 ALDH1A1 (0.33) MAP3K14MEN1KMT2A
SCHEMBL28608528 0.76 MEN1 (0.40) MAP3K14MEN1APEX1KMT2ATDP1
SCHEMBL7530544 0.76 MAP3K14 (0.39) MAP3K14MEN1APEX1KMT2ATDP1
SCHEMBL57232 0.76 MAP3K14 (0.39) MAP3K14MEN1APEX1KMT2ATDP1
SCHEMBL977159 0.74 MAP3K14 (0.38) MAP3K14MEN1APEX1KMT2ATDP1
SCHEMBL18015890 0.74 MAP3K14 (0.38) MAP3K14MEN1APEX1KMT2ATDP1
SCHEMBL1773976 0.74 CRBN (0.40) MAP3K14MEN1APEX1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2985286-B1 MIDBODY OF TICAGRELOR AND PREPARATION METHOD THEREFOR, AND PREPARATION METHOD FOR TICAGRELOR JIANGSU HENGRUI MEDICINE CO (CN) 2017-10-11 EP claimed
US-9359366-B2 Intermediate of Ticagrelor and preparation method therefor, and preparation method for Ticagrelor JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-06-07 US claimed
US-20160052928-A1 INTERMEDIATE OF TICAGRELOR AND PREPARATION METHOD THEREFOR, AND PREPARATION METHOD FOR TICAGRELOR JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-02-25 US claimed
EP-2985286-A1 MIDBODY OF TICAGRELOR AND PREPARATION METHOD THEREFOR, AND PREPARATION METHOD FOR TICAGRELOR Jiangsu Hengrui Medicine Co. Ltd. (CN) 2016-02-17 EP claimed
EP-2985286-B1 MIDBODY OF TICAGRELOR AND PREPARATION METHOD THEREFOR, AND PREPARATION METHOD FOR TICAGRELOR JIANGSU HENGRUI MEDICINE CO (CN) 2017-10-11 EP disclosed
US-9359366-B2 Intermediate of Ticagrelor and preparation method therefor, and preparation method for Ticagrelor JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-06-07 US disclosed
US-20160052928-A1 INTERMEDIATE OF TICAGRELOR AND PREPARATION METHOD THEREFOR, AND PREPARATION METHOD FOR TICAGRELOR JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-02-25 US disclosed
EP-2985286-A1 MIDBODY OF TICAGRELOR AND PREPARATION METHOD THEREFOR, AND PREPARATION METHOD FOR TICAGRELOR Jiangsu Hengrui Medicine Co. Ltd. (CN) 2016-02-17 EP disclosed
WO-2014160739-A2 TRIFLUOROBORATE MASS SPECTROMETRIC TAGS CELLMOSAIC INC. (US) 2014-10-02 WO disclosed
US-20090012008-A1 Pharmaceutical Composition for Photodynamic Therapy and a Method for Treating Oncological Diseases by Using Said Composition VALENTIN VIKTOROVICH PETROV (RU) 2009-01-08 US 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 (1 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-20160052928-A1 INTERMEDIATE OF TICAGRELOR AND PREPARATION METHOD THEREFOR, AND PREPARATION METHOD FOR TICAGRELOR POR, CYP2C19, TKFC MAP3K14 2701/4885MEN1 3336/4885APEX1 3786/4885

“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.