SCHEMBL6832287

SCHEMBL6832287

CC(C)(C)OC(=O)N[C@@H](Cc1cc(C=O)ccc1N=O)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.39
CTSS P25774 6/20 0.38
CTSK P43235 5/20 0.38
ACE P12821 1/20 0.38
KLK5 Q9Y337 1/20 0.37
CTSL P07711 3/20 0.37
MIF P14174 1/20 0.37
SCN9A Q15858 1/20 0.37
CTSB P07858 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL6832285 0.85 TTR (0.42) TACR1SCN9ANPC1RAB9AKDM4E
SCHEMBL6832286 0.84 AAK1 (0.45) TACR1CTSSCTSKACEKLK5
SCHEMBL27856341 0.81 GSTP1 (0.44) TACR1CTSSCTSKACEKLK5
SCHEMBL3786067 0.81 GSTP1 (0.44) TACR1CTSSCTSKACEKLK5
SCHEMBL10249595 0.79 TACR1 (0.45) TACR1CTSSCTSKACEKLK5
SCHEMBL6832289 0.76 ACE (0.41) TACR1CTSSCTSKACEKLK5
SCHEMBL30759357 0.73 KLK5 (0.55) CTSSCTSKACEKLK5CTSL
SCHEMBL12028561 0.73 KLK5 (0.55) CTSSCTSKACEKLK5CTSL
SCHEMBL3770997 0.72 ACE (0.45) CTSSCTSKACESCN9APPARA
SCHEMBL17468602 0.72 CTSS (0.51) CTSSCTSKACEKLK5CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TACR1 3020/4885CTSS 1217/4885CTSK 612/4885

“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.