SCHEMBL693588

SCHEMBL693588

Cc1ccnn1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
ELANE P08246 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BCHE P06276 1/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR119 Q8TDV5 6/20 0.35
USP30 Q70CQ3 1/20 0.34
ABCB1 P08183 1/20 0.34

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
SCHEMBL22951279 0.81 FAAH (0.40) FAAHELANEBCHEMAPK1POLB
SCHEMBL1864917 0.81 FAAH (0.40) FAAHELANEBCHEMAPK1POLB
SCHEMBL22501848 0.81 ELANE (0.44) FAAHELANEBCHEMAPK1POLB
SCHEMBL22233152 0.79 FAAH (0.39) FAAHELANEBCHEMAPK1POLB
SCHEMBL28739878 0.79 ELANE (0.42) FAAHELANEBCHEMAPK1POLB
SCHEMBL21640187 0.78 ALDH1A1 (0.36) ELANEALDH1A1MAPK1
SCHEMBL30879097 0.78 FAAH (0.41) FAAHELANEBCHEMAPK1POLB
SCHEMBL362915 0.78 FAAH (0.38) FAAHELANEBCHEMAPK1POLB
SCHEMBL16630273 0.78 GABRA1 (0.40) FAAHELANEBCHEMAPK1POLB
SCHEMBL16059069 0.77 FAAH (0.40) FAAHELANEBCHEMAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916747-A Fused heterocyclic derivative and application thereof in medicine 四川海思科制药有限公司 2023-04-04 CN disclosed
CN-115209952-A Substituted pyrazolopyrimidines and use thereof 维基分析有限公司 2022-10-18 CN disclosed
CN-111212833-B Phenylpyridine derivatives and pharmaceutical compositions containing the same 株式会社大熊制药 2022-09-06 CN disclosed
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 US disclosed
CN-108026077-B Phenoxymethyl derivatives 豪夫迈·罗氏有限公司 2021-11-05 CN disclosed
US-20200339522-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
EP-3344619-B1 PHENOXYMETHYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-10-28 EP disclosed
US-10640472-B2 Phenoxymethyl derivatives HOFFMAN-LA ROCHE INC. (US) 2020-05-05 US disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 US disclosed
EP-3344619-A1 PHENOXYMETHYL DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-07-11 EP disclosed
US-8586744-B2 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2013-11-19 US disclosed
EP-2422791-A1 Antiviral phosphinate compounds Gilead Sciences, Inc. (US) 2012-02-29 EP disclosed
US-20110081314-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-07 US disclosed
US-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-07 US disclosed
US-7893264-B2 viricides comprising phosphinic acid compounds and/or mixed with carriers, nucleoside analogues, interferons or pegylated interferons; treating hepatitis C or a hepatitis C associated disorders in animals; side effect reduction GILEAD SCIENCES, INC. (US) 2011-02-22 US disclosed
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-09-10 US disclosed
EP-2043658-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS Gilead Sciences, Inc. (US) 2009-04-08 EP disclosed
CN-101405001-A Methods of inhibiting BTK and SYK protein kinases HOFFMANN LA ROCHE (CH) 2009-04-08 CN disclosed
US-20080057031-A1 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2008-03-06 US disclosed
WO-2008005565-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-01-10 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 (8 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-20200339522-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 FAAH 3794/4885ELANE 2985/4885ALDH1A1 131/4885
US-20080057031-A1 Antiviral phosphinate compounds PHOSPHO1, MAVS, ITPA FAAH 4108/4885ELANE 2970/4885ALDH1A1 4695/4885
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS PHOSPHO1, MAVS, ITPA FAAH 4108/4885ELANE 2970/4885ALDH1A1 4695/4885
US-10640472-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 FAAH 3794/4885ELANE 2985/4885ALDH1A1 131/4885
US-20110081314-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS PHOSPHO1, MAVS, ITPA FAAH 4108/4885ELANE 2970/4885ALDH1A1 4695/4885
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 FAAH 3794/4885ELANE 2985/4885ALDH1A1 131/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 FAAH 3794/4885ELANE 2985/4885ALDH1A1 131/4885
US-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS HAVCR2, PHOSPHO1, EIF2AK2 FAAH 3150/4885ELANE 1326/4885ALDH1A1 3828/4885

“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.