SCHEMBL3780643

SCHEMBL3780643

CC(C)(C)OC(=O)NC(Cc1cccc(OC(F)(F)F)c1[N+](=O)[O-])C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.45
CTSK P43235 3/20 0.45
ACE P12821 2/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
SCN9A Q15858 13/20 0.43
CACNA1C Q13936 2/20 0.43
PTPN1 P18031 1/20 0.43
CYP3A4 P08684 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42

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
SCHEMBL3780647 1.00 CTSS (0.45) CTSSCTSKACEPPARGPPARA
SCHEMBL3769052 0.89 TACR1 (0.43) CTSSCTSKSCN9ACACNA1CCYP3A4
SCHEMBL27985683 0.89 TACR1 (0.43) CTSSCTSKSCN9ACACNA1CCYP3A4
SCHEMBL1270449 0.85 SCN9A (0.54) CTSSCTSKACESCN9ACACNA1C
SCHEMBL1270451 0.85 SCN9A (0.54) CTSSCTSKACESCN9ACACNA1C
SCHEMBL6763938 0.80 PTGER1 (0.40) PPARG
SCHEMBL648928 0.79 ACE (0.53) CTSSCTSKACEPPARGPPARA
SCHEMBL30829406 0.79 ACE (0.53) CTSSCTSKACEPPARGPPARA
SCHEMBL30829401 0.79 ACE (0.53) CTSSCTSKACEPPARGPPARA
SCHEMBL649126 0.79 ACE (0.53) CTSSCTSKACEPPARGPPARA

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 4 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
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 (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 CTSS 1217/4885CTSK 612/4885ACE 3082/4885

“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.