SCHEMBL9912571

SCHEMBL9912571

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.40
PTPN1 P18031 1/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
SCN9A Q15858 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CTSS P25774 3/20 0.37
CTSK P43235 3/20 0.37
SERPINE1 P05121 3/20 0.36
PTPRB P23467 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 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
SCHEMBL9912570 0.93 GSTP1 (0.39) SCN9AKEAP1NFE2L2SERPINE1PTPRB
SCHEMBL27915178 0.93 GSTP1 (0.39) SCN9AKEAP1NFE2L2SERPINE1PTPRB
SCHEMBL9912565 0.91 KEAP1 (0.37) SCN9AKEAP1NFE2L2SERPINE1PTPRB
SCHEMBL14124990 0.89 ACE (0.41) ACEPTPN1PPARGPPARASCN9A
SCHEMBL14124991 0.83 TACR1 (0.40) SCN9AKEAP1NFE2L2CTSSCTSK
SCHEMBL14124992 0.81 TACR1 (0.41) PPARGPPARASCN9AKEAP1NFE2L2
SCHEMBL9912516 0.76 ACE (0.51) ACEPTPN1PPARGPPARASCN9A
SCHEMBL15583670 0.75 SCN9A (0.48) ACEPTPN1PPARGPPARASCN9A
SCHEMBL3556619 0.74 ACE (0.61) ACEPTPN1PPARGPPARASCN9A
SCHEMBL1519920 0.74 ACE (0.61) ACEPTPN1PPARGPPARASCN9A

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 ACE 2952/4885PTPN1 3503/4885PPARG 1504/4885
US-20120302599-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 ACE 2952/4885PTPN1 3503/4885PPARG 1504/4885

“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.