SCHEMBL3775142

SCHEMBL3775142

CCOC(=O)C=Cc1ccc([N+](=O)[O-])c(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.42
GSTM2 P28161 1/20 0.42
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41
AKR1B1 P15121 1/20 0.40
MAOB P27338 1/20 0.39
TACR1 P25103 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MCL1 Q07820 1/20 0.38
SCN9A Q15858 1/20 0.38
PKM P14618 1/20 0.38
CYP3A4 P08684 1/20 0.38
FDPS P14324 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37

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
SCHEMBL3775140 1.00 GSTP1 (0.42) GSTP1GSTM2TTRDPP4AKR1B1
SCHEMBL3771587 0.94 AKR1B1 (0.43) GSTP1GSTM2TTRDPP4AKR1B1
SCHEMBL3771590 0.94 AKR1B1 (0.43) GSTP1GSTM2TTRDPP4AKR1B1
SCHEMBL3786067 0.86 GSTP1 (0.44) GSTP1GSTM2TACR1MCL1ITGA4
SCHEMBL27856341 0.86 GSTP1 (0.44) GSTP1GSTM2TACR1MCL1ITGA4
SCHEMBL6832285 0.83 TTR (0.42) TTRDPP4MAOBTACR1CA12
SCHEMBL3775078 0.80 GSTP1 (0.46) GSTP1GSTM2TACR1MCL1ITGA4
SCHEMBL19930574 0.79 TTR (0.57) TTRDPP4MAOBCA12CA1
SCHEMBL3770997 0.78 ACE (0.45) GSTP1GSTM2MCL1SCN9APPARG
SCHEMBL8529450 0.76 SCN9A (0.49) GSTP1GSTM2TACR1SCN9AMAPT

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
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-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 GSTP1 2964/4885GSTM2 1953/4885TTR 2200/4885

“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.