SCHEMBL503474

SCHEMBL503474

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1-c1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.57
PTPN1 P18031 2/20 0.55
MME P08473 1/20 0.55
CPA1 P15085 1/20 0.55
ACE2 Q9BYF1 1/20 0.55
CTSS P25774 6/20 0.55
CTSK P43235 5/20 0.55
KMT2A Q03164 1/20 0.54
SCN9A Q15858 1/20 0.53
PPARA Q07869 5/20 0.52
PPARG P37231 4/20 0.52
PPARD Q03181 2/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
IDO1 P14902 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48

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
SCHEMBL6170513 1.00 ACE (0.57) ACEPTPN1MMECPA1ACE2
SCHEMBL3925164 0.87 ACE (0.55) ACEPTPN1CTSSCTSKSCN9A
SCHEMBL2781125 0.86 MME (0.60) ACEMMECPA1ACE2KMT2A
SCHEMBL2780274 0.86 MME (0.60) ACEMMECPA1ACE2KMT2A
SCHEMBL6156362 0.85 ACE (0.58) ACEPTPN1CTSSCTSKSCN9A
SCHEMBL4117148 0.85 ACE (0.58) ACEPTPN1CTSSCTSKSCN9A
SCHEMBL269930 0.85 ACE (0.58) ACEPTPN1CTSSCTSKSCN9A
SCHEMBL13541332 0.85 ACE (0.58) ACEPTPN1CTSSCTSKSCN9A
SCHEMBL269929 0.85 ACE (0.58) ACEPTPN1CTSSCTSKSCN9A
SCHEMBL873556 0.85 ACE (0.58) ACEPTPN1CTSSCTSKSCN9A

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-8445678-B2 2-quinoxalinol salen compounds and uses thereof AUBURN UNIVERSITY (US) 2013-05-21 US disclosed
US-20120028362-A1 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF AUBURN UNIVERSITY (US) 2012-02-02 US disclosed
US-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof AUBURN UNIVERSITY (US) 2009-11-19 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 (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-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof NQO1, NQO2, SQOR ACE 1254/4885PTPN1 4172/4885MME 4369/4885
US-20120028362-A1 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF NQO1, NQO2, SQOR ACE 1254/4885PTPN1 4172/4885MME 4369/4885

“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.