SCHEMBL4121007

SCHEMBL4121007

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Oc1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.48
ACE P12821 3/20 0.47
CTSS P25774 3/20 0.46
CTSK P43235 3/20 0.46
PPARA Q07869 6/20 0.45
PPARG P37231 5/20 0.45
PTPN1 P18031 1/20 0.44
KDM4A O75164 1/20 0.44
MME P08473 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
TACR1 P25103 1/20 0.43
PPARD Q03181 2/20 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
SCHEMBL648928 0.89 ACE (0.53) SCN9AACECTSSCTSKPPARA
SCHEMBL649126 0.89 ACE (0.53) SCN9AACECTSSCTSKPPARA
SCHEMBL391142 0.89 ACE (0.53) SCN9AACECTSSCTSKPPARA
SCHEMBL30829401 0.89 ACE (0.53) SCN9AACECTSSCTSKPPARA
SCHEMBL30829406 0.89 ACE (0.53) SCN9AACECTSSCTSKPPARA
SCHEMBL6367780 0.86 BCL2 (0.54) SCN9AACECTSSCTSKPPARA
SCHEMBL7281390 0.83 ALDH1A1 (0.52) ACEPPARAPPARGALDH1A1HTT
SCHEMBL29467176 0.83 ALDH1A1 (0.52) ACEPPARAPPARGALDH1A1HTT
SCHEMBL15565625 0.83 ALDH1A1 (0.52) ACEPPARAPPARGALDH1A1HTT
SCHEMBL8903146 0.83 ALDH1A1 (0.52) ACEPPARAPPARGALDH1A1HTT

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
US-20090054398-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1996202-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007104933-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-09-20 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 (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-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 SCN9A 1777/4885ACE 1364/4885CTSS 2224/4885

“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.