SCHEMBL17979466

SCHEMBL17979466

Nc1c(F)cc(Cl)cc1C(=O)c1cccc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.47
▸ CES1 P23141 2/20 0.47
▸ BCHE P06276 1/20 0.47
▸ RECQL P46063 1/20 0.42
▸ HPGD P15428 1/20 0.39
▸ MAPK14 Q16539 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ P2RX7 Q99572 1/20 0.36
▸ FADS1 O60427 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ KAT6A Q92794 1/20 0.36
▸ MAPK7 Q13164 1/20 0.36
▸ GRM2 Q14416 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL32673266 0.88 ALDH1A1 (0.49) CES2CES1RECQLMAPK14ALDH1A1
SCHEMBL2705789 0.83 RECQL (0.62) CES2CES1BCHERECQLHPGD
SCHEMBL14917063 0.78 MAPT (0.47) MAPK14ALDH1A1MAPTALOX15
SCHEMBL3440833 0.78 CES2 (0.74) CES2CES1BCHEHPGDMAPK14
SCHEMBL28003970 0.76 ALDH1A1 (0.47) CES2CES1RECQLMAPK14ALDH1A1
SCHEMBL3111227 0.75 CES2 (0.63) CES2CES1BCHEHPGDMAPK14
SCHEMBL23293839 0.73 IKBKB (0.42) ALDH1A1GRM2
SCHEMBL13469240 0.73 CYP3A4 (0.55) HPGDALDH1A1MAPTSMN1; SMN2GRM2
SCHEMBL29918078 0.73 CYP3A4 (0.55) HPGDALDH1A1MAPTSMN1; SMN2GRM2
SCHEMBL5613020 0.73 CES2 (0.65) CES2CES1BCHEHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3257841-B1 SYNTHESIS PROCESS FOR CHIRAL CYCLOPROPYL ETHYNYL TERTIARY ALCOHOL COMPOUND SHANGHAI DESANO PHARMACEUTICAL CO LTD (CN) 2020-07-08 — — EP claimed
US-20180029975-A1 SYNTHESIS PROCESS FOR CHIRAL CYCLOPROPYL ETHYNYL TERTIARY ALCOHOL COMPOUND SHANGHAI DESANO PHARMACEUTICAL CO., LTD. (CN) 2018-02-01 — — US claimed
EP-3257841-A1 SYNTHESIS PROCESS FOR CHIRAL CYCLOPROPYL ETHYNYL TERTIARY ALCOHOL COMPOUND Shanghai Desano Pharmaceutical Co., Ltd. (CN) 2017-12-20 — — EP claimed
EP-3257841-B1 SYNTHESIS PROCESS FOR CHIRAL CYCLOPROPYL ETHYNYL TERTIARY ALCOHOL COMPOUND SHANGHAI DESANO PHARMACEUTICAL CO LTD (CN) 2020-07-08 — — EP disclosed
CN-110746312-A Method for asymmetrically synthesizing efavirenz key intermediate of anti-AIDS drug 湖北随州双星生物科技有限公司 2020-02-04 — — CN disclosed
US-20180029975-A1 SYNTHESIS PROCESS FOR CHIRAL CYCLOPROPYL ETHYNYL TERTIARY ALCOHOL COMPOUND SHANGHAI DESANO PHARMACEUTICAL CO., LTD. (CN) 2018-02-01 — — US disclosed
US-20180029975-A1 SYNTHESIS PROCESS FOR CHIRAL CYCLOPROPYL ETHYNYL TERTIARY ALCOHOL COMPOUND SHANGHAI DESANO PHARMACEUTICAL CO., LTD. (CN) 2018-02-01 — — US disclosed
EP-3257841-A1 SYNTHESIS PROCESS FOR CHIRAL CYCLOPROPYL ETHYNYL TERTIARY ALCOHOL COMPOUND Shanghai Desano Pharmaceutical Co., Ltd. (CN) 2017-12-20 — — EP disclosed
EP-3257841-A1 SYNTHESIS PROCESS FOR CHIRAL CYCLOPROPYL ETHYNYL TERTIARY ALCOHOL COMPOUND Shanghai Desano Pharmaceutical Co., Ltd. (CN) 2017-12-20 — — EP disclosed
WO-2016127661-A1 SYNTHESIS PROCESS FOR CHIRAL CYCLOPROPYL ETHYNYL TERTIARY ALCOHOL COMPOUND 上海迪赛诺药业有限公司 2016-08-18 — — WO disclosed
CN-105330554-A Synthesis method of chiral cyclopropylacetylenyl tert-alcohol compound SHANGHAI DESANO PHARMACEUTICAL INVEST CO LTD 2016-02-17 — — 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 (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-20180029975-A1 SYNTHESIS PROCESS FOR CHIRAL CYCLOPROPYL ETHYNYL TERTIARY ALCOHOL COMPOUND ADH5, ADH1A, ADH1C CES2 170/4885CES1 187/4885BCHE 1678/4885

“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.

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