SCHEMBL3774190

SCHEMBL3774190

COC(=O)[C@H](Cc1cc(Oc2ccccc2)cnc1[N+](=O)[O-])NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.47
BCL2 P10415 2/20 0.45
MMP13 P45452 1/20 0.44
KLK5 Q9Y337 1/20 0.44
GSTP1 P09211 1/20 0.42
GSTM2 P28161 1/20 0.42
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MCL1 Q07820 1/20 0.39
TACR1 P25103 2/20 0.39
CTSS P25774 4/20 0.39
CTSK P43235 4/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
ACE P12821 1/20 0.39
PTPN1 P18031 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL28795418 1.00 SCN9A (0.47) SCN9ABCL2MMP13KLK5GSTP1
SCHEMBL16822431 0.93 SCN9A (0.53) SCN9ABCL2MMP13MCL1CTSS
SCHEMBL16822432 0.93 SCN9A (0.53) SCN9ABCL2MMP13MCL1CTSS
SCHEMBL3779708 0.84 SCN9A (0.51) SCN9ABCL2MMP13KLK5GSTP1
SCHEMBL15583641 0.83 BCL2 (0.46) SCN9ABCL2MMP13KLK5GSTP1
SCHEMBL15947606 0.76 GSTP1 (0.52) KLK5GSTP1GSTM2TACR1CTSS
SCHEMBL2294118 0.76 KLK5 (0.61) SCN9ABCL2MMP13KLK5CTSS
SCHEMBL29721250 0.76 KLK5 (0.61) SCN9ABCL2MMP13KLK5CTSS
SCHEMBL29103443 0.76 KLK5 (0.61) SCN9ABCL2MMP13KLK5CTSS
SCHEMBL2294112 0.76 KLK5 (0.61) SCN9ABCL2MMP13KLK5CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175603-A1 TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-06-25 US disclosed
US-20150175603-A1 TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-06-25 US disclosed
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed
CN-102482221-B bicyclic and tricyclic compounds as KATII inhibitors PFIZER INC. (US) 2014-10-22 CN disclosed
WO-2013186666-A1 TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER INC. (US) 2013-12-19 WO disclosed
CN-102482221-A Bicyclic and tricyclic compounds as KATII inhibitors PFIZER 2012-05-30 CN 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-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
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 (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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B SCN9A 1463/4885BCL2 2249/4885MMP13 2551/4885
US-20150175603-A1 TRICYCLIC COMPOUNDS AS KAT II INHIBITORS KAT2A, KAT2B, KAT7 SCN9A 1564/4885BCL2 3165/4885MMP13 2029/4885

“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.