SCHEMBL6832289

SCHEMBL6832289

CN(Cc1ccc(N=O)c(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.41
KLK5 Q9Y337 1/20 0.41
TACR1 P25103 1/20 0.41
CTSS P25774 9/20 0.41
CTSK P43235 8/20 0.41
CTSB P07858 3/20 0.40
CTSL P07711 3/20 0.40
PPARA Q07869 5/20 0.40
PPARG P37231 4/20 0.40
PTPN1 P18031 1/20 0.39
PPARD Q03181 2/20 0.39
HCRTR1 O43613 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
SCHEMBL27873033 0.84 ITGA4 (0.44) ACEKLK5TACR1CTSSCTSK
SCHEMBL6763225 0.84 ITGA4 (0.44) ACEKLK5TACR1CTSSCTSK
SCHEMBL6832286 0.78 AAK1 (0.45) ACEKLK5TACR1CTSSCTSK
SCHEMBL3774958 0.77 ACE (0.47) ACECTSSCTSKPPARAPPARG
SCHEMBL6832287 0.76 TACR1 (0.39) ACEKLK5TACR1CTSSCTSK
SCHEMBL10249595 0.73 TACR1 (0.45) ACEKLK5TACR1CTSSCTSK
SCHEMBL16459752 0.72 CTSS (0.68) ACEKLK5CTSSCTSKCTSB
SCHEMBL16459753 0.72 CTSS (0.68) ACEKLK5CTSSCTSKCTSB
SCHEMBL18435382 0.72 CTSS (0.68) ACEKLK5CTSSCTSKCTSB
SCHEMBL18610659 0.72 CTSS (0.70) ACEKLK5CTSSCTSKCTSB

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 ACE 3082/4885KLK5 1949/4885TACR1 3020/4885

“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.