SCHEMBL3099665

SCHEMBL3099665

CC(C)(C)OC(=O)n1nc(CBr)c2ccc(F)nc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
MAP2K4 P45985 1/20 0.31
SSTR4 P31391 1/20 0.31
BRD4 O60885 1/20 0.31
ELANE P08246 1/20 0.31
F2RL1 P55085 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GPR119 Q8TDV5 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
SCHEMBL29588107 1.00 FAAH (0.33) FAAHJAK2JAK1MAP2K4SSTR4
SCHEMBL3146157 0.82 SMPD3 (0.35) FAAHMAP2K4SSTR4BRD4ELANE
SCHEMBL2883080 0.79 POLB (0.41) FAAHBRD4ELANEGPR119
SCHEMBL29587624 0.79 POLB (0.41) FAAHBRD4ELANEGPR119
SCHEMBL4563149 0.79 FAAH (0.36) FAAHJAK2JAK1MAP2K4ELANE
SCHEMBL8426868 0.78 MAP2K4 (0.37) FAAHJAK2JAK1MAP2K4SSTR4
SCHEMBL8215915 0.76 SCN9A (0.36) FAAHMAP2K4SSTR4GPR119
SCHEMBL18617540 0.75 F2RL1 (0.33) F2RL1
SCHEMBL29588959 0.75 F2RL1 (0.33) F2RL1
SCHEMBL18618596 0.74 F2RL1 (0.32) F2RL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 US 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
US-8404856-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-03-26 US disclosed
US-20100256181-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-7807684-B2 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
EP-2222661-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-09-01 EP disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
EP-1910360-B1 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO INC (US) 2010-03-03 EP disclosed
WO-2009117278-A2 PROCESSES FOR PREPARING (AMINO-PYRAZOLOPYRIDINYL)METHOXY SUBSTITUTED BIARYL ETHERS MERCK & CO., INC. (US) 2009-09-24 WO disclosed
WO-2009067166-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2009-05-28 WO disclosed
EP-1910360-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-04-16 EP disclosed
WO-2007015812-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 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 (6 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 3794/4885JAK2 638/4885JAK1 1078/4885
US-10640472-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 FAAH 3794/4885JAK2 638/4885JAK1 1078/4885
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 FAAH 3794/4885JAK2 638/4885JAK1 1078/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 FAAH 3794/4885JAK2 638/4885JAK1 1078/4885
US-20070021442-A1 HIV reverse transcriptase inhibitors POLRMT, RNGTT, POLR2E FAAH 3843/4885JAK2 3770/4885JAK1 2467/4885
US-20100256181-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLB, POLR2A, RRM2B FAAH 2840/4885JAK2 3987/4885JAK1 3664/4885

“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.