SCHEMBL3781272

SCHEMBL3781272

CC(C)(C)OC(=O)N[C@@H](Cc1cc(Oc2cccc(C#N)c2)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.47
EGLN2 Q96KS0 1/20 0.46
BCL2 P10415 3/20 0.45
PTPN1 P18031 2/20 0.45
CTSS P25774 8/20 0.44
CTSK P43235 7/20 0.44
GPR34 Q9UPC5 1/20 0.43
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
MCL1 Q07820 1/20 0.41
ACE P12821 1/20 0.41
CTSB P07858 3/20 0.41
MMP13 P45452 1/20 0.41
KDM4A O75164 1/20 0.40
CTSL P07711 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
SCHEMBL21639344 0.88 CTSS (0.46) BCL2PTPN1CTSSCTSKITGB3
SCHEMBL21639347 0.88 CTSS (0.46) BCL2PTPN1CTSSCTSKITGB3
SCHEMBL15583670 0.85 SCN9A (0.48) SCN9AEGLN2BCL2PTPN1CTSS
SCHEMBL6762817 0.84 SCN9A (0.47) SCN9AEGLN2BCL2PTPN1CTSS
SCHEMBL3779708 0.82 SCN9A (0.51) SCN9AEGLN2BCL2PTPN1CTSS
SCHEMBL3774503 0.80 SCN9A (0.41) SCN9AEGLN2GPR34
SCHEMBL31757466 0.78 CTSS (0.42) BCL2CTSSCTSKCTSBCTSL
SCHEMBL29500880 0.77 PPARG (0.47) SCN9ABCL2PTPN1CTSSCTSK
SCHEMBL3774707 0.77 ACE (0.47) SCN9ABCL2PTPN1CTSSCTSK
SCHEMBL27873039 0.77 ACE (0.47) SCN9ABCL2PTPN1CTSSCTSK

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 3 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
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 SCN9A 1463/4885EGLN2 4293/4885BCL2 2249/4885

“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.