SCHEMBL3779708

SCHEMBL3779708

COC(=O)[C@H](Cc1cc(Oc2ccccc2)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.51
BCL2 P10415 4/20 0.51
MMP13 P45452 1/20 0.48
GSTP1 P09211 1/20 0.48
GSTM2 P28161 1/20 0.48
KLK5 Q9Y337 1/20 0.46
MCL1 Q07820 1/20 0.44
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
CTSS P25774 3/20 0.41
CTSK P43235 3/20 0.41
TACR1 P25103 2/20 0.41
ACE P12821 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
PTPN1 P18031 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL15583641 0.85 BCL2 (0.46) SCN9ABCL2MMP13GSTP1GSTM2
SCHEMBL15947606 0.85 GSTP1 (0.52) GSTP1GSTM2KLK5CTSSCTSK
SCHEMBL3774190 0.84 SCN9A (0.47) SCN9ABCL2MMP13GSTP1GSTM2
SCHEMBL28795418 0.84 SCN9A (0.47) SCN9ABCL2MMP13GSTP1GSTM2
SCHEMBL3766654 0.84 GSTP1 (0.49) BCL2MMP13GSTP1GSTM2KLK5
SCHEMBL13479103 0.83 GSTP1 (0.52) BCL2GSTP1GSTM2KLK5MCL1
SCHEMBL3771926 0.83 GSTP1 (0.52) SCN9ABCL2GSTP1GSTM2KLK5
SCHEMBL15583670 0.83 SCN9A (0.48) SCN9ABCL2MMP13MCL1EGLN2
SCHEMBL3781272 0.82 SCN9A (0.47) SCN9ABCL2MMP13MCL1EGLN2
SCHEMBL6762817 0.82 SCN9A (0.47) SCN9ABCL2MMP13GSTP1GSTM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 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 (1 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B SCN9A 1463/4885BCL2 2249/4885MMP13 2551/4885

“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.