Sugi Predict

Sugi Predict / Compounds / SCHEMBL9912455

SCHEMBL9912455

SCHEMBL9912455

Cn1nc(Cc2ccccc2)c(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.48
▸ PPARG P37231 5/20 0.48
▸ ACE P12821 2/20 0.48
▸ ITGA4 P13612 1/20 0.43
▸ ITGB7 P26010 1/20 0.43
▸ CTSS P25774 2/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ AKT1 P31749 1/20 0.42
▸ PTPN1 P18031 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PPARD Q03181 2/20 0.41
▸ APP P05067 1/20 0.40
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39

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
SCHEMBL9912463 0.89 PPARA (0.40) PPARAPPARGACEITGA4ITGB7
SCHEMBL9912557 0.83 PPARA (0.48) PPARAPPARGACEITGA4ITGB7
SCHEMBL7346390 0.74 PPARA (0.73) PPARAPPARGACECTSSCTSL
SCHEMBL606309 0.73 ACE (0.79) PPARAPPARGACECTSSCTSL
SCHEMBL795685 0.73 ACE (0.79) PPARAPPARGACECTSSCTSL
SCHEMBL27909397 0.73 ACE (0.79) PPARAPPARGACECTSSCTSL
SCHEMBL67020 0.73 ACE (0.79) PPARAPPARGACECTSSCTSL
SCHEMBL66220 0.73 ACE (0.79) PPARAPPARGACECTSSCTSL
SCHEMBL21473784 0.73 ACE (0.79) PPARAPPARGACECTSSCTSL
SCHEMBL9912561 0.73 PPARA (0.40) PPARAPPARGACEITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 — — US disclosed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 — — US disclosed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 — — US disclosed
EP-2646443-B1 KAT II INHIBITORS PFIZER (US) 2014-09-24 — — EP disclosed
EP-2646443-B1 KAT II INHIBITORS PFIZER (US) 2014-09-24 — — EP disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 — — US disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 — — US disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 — — US disclosed
US-8598200-B2 KAT II inhibitors PFIZER INC. (US) 2013-12-03 — — US disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 — — US disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 — — US disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 — — US disclosed
WO-2012073143-A1 KAT II INHIBITORS PFIZER INC. (US) 2012-06-07 — — WO 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-20140057938-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 PPARA 2262/4885PPARG 1504/4885ACE 2952/4885
US-20120302599-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 PPARA 2262/4885PPARG 1504/4885ACE 2952/4885

“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.