SCHEMBL14124992

SCHEMBL14124992

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.41
GSTP1 P09211 1/20 0.41
GSTM2 P28161 1/20 0.41
KLK5 Q9Y337 1/20 0.39
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SCN9A Q15858 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
CTSS P25774 3/20 0.35
CTSK P43235 3/20 0.35
RAB9A P51151 1/20 0.35
JAK2 O60674 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 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
SCHEMBL14124990 0.92 ACE (0.41) TACR1MAPTSMN1; SMN2SCN9AKEAP1
SCHEMBL14124991 0.91 TACR1 (0.40) TACR1GSTP1GSTM2MAPTSMN1; SMN2
SCHEMBL9912570 0.89 GSTP1 (0.39) TACR1GSTP1GSTM2KLK5MAPT
SCHEMBL27915178 0.89 GSTP1 (0.39) TACR1GSTP1GSTM2KLK5MAPT
SCHEMBL9912565 0.83 KEAP1 (0.37) TACR1GSTP1GSTM2MAPTSCN9A
SCHEMBL9912571 0.81 ACE (0.40) MAPTSCN9AKEAP1NFE2L2CTSS
SCHEMBL15947606 0.72 GSTP1 (0.52) TACR1GSTP1GSTM2KLK5ALDH1A1
SCHEMBL2728490 0.71 KLK5 (0.55) GSTP1GSTM2KLK5MAPTSMN1; SMN2
SCHEMBL6674426 0.71 KLK5 (0.55) GSTP1GSTM2KLK5MAPTSMN1; SMN2
SCHEMBL3774190 0.71 SCN9A (0.47) TACR1GSTP1GSTM2KLK5SCN9A

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 3 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-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 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 (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 TACR1 3670/4885GSTP1 252/4885GSTM2 462/4885
US-20120302599-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 TACR1 3670/4885GSTP1 252/4885GSTM2 462/4885

“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.