SCHEMBL9912565

SCHEMBL9912565

CC(C)(C)OC(=O)N[C@@H](Cc1cn(-c2cccc(C(F)(F)F)c2)nc1[N+](=O)[O-])C(=O)OCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
TACR1 P25103 3/20 0.36
SCN9A Q15858 6/20 0.35
PTPRB P23467 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
SERPINE1 P05121 1/20 0.34
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33

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
SCHEMBL9912570 0.94 GSTP1 (0.39) KEAP1NFE2L2TACR1SCN9APTPRB
SCHEMBL27915178 0.94 GSTP1 (0.39) KEAP1NFE2L2TACR1SCN9APTPRB
SCHEMBL14124991 0.92 TACR1 (0.40) KEAP1NFE2L2TACR1SCN9AMAPT
SCHEMBL9912571 0.91 ACE (0.40) KEAP1NFE2L2SCN9APTPRBMEN1
SCHEMBL14124992 0.83 TACR1 (0.41) KEAP1NFE2L2TACR1SCN9AKMT2A
SCHEMBL9912465 0.81 PPARG (0.35) TACR1SCN9ACYP3A4GSTP1GSTM2
SCHEMBL14124990 0.80 ACE (0.41) KEAP1NFE2L2TACR1SCN9AKMT2A
SCHEMBL9912513 0.80 SCN9A (0.42) TACR1SCN9ACYP3A4
SCHEMBL27985683 0.72 TACR1 (0.43) TACR1SCN9ACYP3A4
SCHEMBL3769052 0.72 TACR1 (0.43) TACR1SCN9ACYP3A4

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
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
EP-2646443-B1 KAT II INHIBITORS PFIZER (US) 2014-09-24 EP disclosed
EP-2646443-B1 KAT II INHIBITORS PFIZER (US) 2014-09-24 EP disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-8598200-B2 KAT II inhibitors PFIZER INC. (US) 2013-12-03 US disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 US disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 US disclosed
WO-2012073143-A1 KAT II INHIBITORS PFIZER INC. (US) 2012-06-07 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-20140057938-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 KEAP1 371/4885NFE2L2 1750/4885TACR1 3670/4885
US-20120302599-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 KEAP1 371/4885NFE2L2 1750/4885TACR1 3670/4885

“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.