Sugi Predict

Sugi Predict / Compounds / SCHEMBL3774707

SCHEMBL3774707

SCHEMBL3774707

CC(C)(C)OC(=O)N[C@@H](Cc1cc(F)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.47
▸ PPARA Q07869 3/20 0.46
▸ PPARG P37231 2/20 0.46
▸ CTSS P25774 5/20 0.46
▸ CTSK P43235 5/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ GSTP1 P09211 1/20 0.43
▸ GSTM2 P28161 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ BCL2 P10415 1/20 0.40
▸ MCL1 Q07820 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
SCHEMBL27873039 1.00 ACE (0.47) ACEPPARAPPARGCTSSCTSK
SCHEMBL3771926 0.90 GSTP1 (0.52) PPARAPPARGCTSSCTSKGSTP1
SCHEMBL29500880 0.87 PPARG (0.47) ACEPPARAPPARGCTSSCTSK
SCHEMBL3770997 0.85 ACE (0.45) ACEPPARAPPARGCTSSCTSK
SCHEMBL21639347 0.84 CTSS (0.46) ACEPPARAPPARGCTSSCTSK
SCHEMBL21639344 0.84 CTSS (0.46) ACEPPARAPPARGCTSSCTSK
SCHEMBL649126 0.84 ACE (0.53) ACEPPARAPPARGCTSSCTSK
SCHEMBL30829401 0.84 ACE (0.53) ACEPPARAPPARGCTSSCTSK
SCHEMBL648928 0.84 ACE (0.53) ACEPPARAPPARGCTSSCTSK
SCHEMBL30829406 0.84 ACE (0.53) ACEPPARAPPARGCTSSCTSK

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 9 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
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-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 ACE 3082/4885PPARA 3095/4885PPARG 2083/4885
US-20150175603-A1 TRICYCLIC COMPOUNDS AS KAT II INHIBITORS KAT2A, KAT2B, KAT7 ACE 2218/4885PPARA 3672/4885PPARG 1708/4885

“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.