SCHEMBL1428445

SCHEMBL1428445

CC(C)(O)c1ccc(CC=O)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.37
▸ NR1H4 Q96RI1 2/20 0.37
▸ CHRM4 P08173 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ DAO P14920 1/20 0.35
▸ TNKS O95271 3/20 0.33
▸ PARP1 P09874 3/20 0.33
▸ TNKS2 Q9H2K2 3/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ RIPK1 Q13546 2/20 0.33
▸ GRM2 Q14416 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32
▸ PARP3 Q9Y6F1 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ NR1I2 O75469 1/20 0.31
▸ APP P05067 1/20 0.31
▸ PDE2A O00408 1/20 0.31

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
SCHEMBL1426705 0.81 IDO1 (0.53) IDO1DAOSLC6A4SLC6A2SLC6A3
SCHEMBL4831664 0.77 IDO1 (0.41) EPHX2NR1H4CHRM4IDO1DAO
SCHEMBL12775998 0.77 IDO1 (0.38) EPHX2NR1H4CHRM4IDO1DAO
SCHEMBL1427909 0.77 RIPK1 (0.31) EPHX2RIPK1
SCHEMBL12844626 0.76 DAO (0.39) EPHX2NR1H4CHRM4IDO1DAO
SCHEMBL23775242 0.75 CHRM4 (0.45) EPHX2NR1H4CHRM4IDO1PARP1
SCHEMBL1246657 0.74 TNKS (0.37) TNKSPARP1TNKS2PARP2PARP3
SCHEMBL1554674 0.73 CHRNA7 (0.46) —
SCHEMBL2578360 0.73 SRC (0.40) —
SCHEMBL8205 0.73 PDPK1 (0.43) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2299816-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2013-11-13 — — EP disclosed
EP-2299816-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2013-11-13 — — EP disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
US-8344144-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-01 — — US disclosed
US-8344144-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-01 — — US disclosed
US-8344144-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-01 — — US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 — — EP disclosed
US-20110082136-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-04-07 — — US disclosed
US-20110082136-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-04-07 — — US disclosed
EP-2299816-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2011-03-30 — — EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 — — EP disclosed
WO-2009155156-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-12-23 — — WO disclosed
WO-2009155156-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-12-23 — — WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 — — WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 — — 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 (2 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-20110082136-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 EPHX2 4752/4885NR1H4 4463/4885CHRM4 4861/4885
US-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 EPHX2 4746/4885NR1H4 4484/4885CHRM4 4862/4885

“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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