SCHEMBL4264338

SCHEMBL4264338

CC(C)(C)[N+]([O-])=Cc1ccc(C(=O)NCC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HIF1A Q16665 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 1/20 0.44
SOST Q9BQB4 1/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 2/20 0.40
NR1H4 Q96RI1 2/20 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
SCHEMBL13569513 1.00 MAPT (0.49) MAPTKDM4EHIF1ASLC22A6SLC22A8
SCHEMBL2801369 0.82 MAPT (0.45) MAPTKDM4EHIF1ACA1CA2
SCHEMBL4259258 0.82 ALDH1A1 (0.41) ALDH1A1EPHX2NR1H4
SCHEMBL4259261 0.82 ALDH1A1 (0.41) ALDH1A1EPHX2NR1H4
SCHEMBL4259268 0.82 ALDH1A1 (0.41) ALDH1A1EPHX2NR1H4
SCHEMBL13232832 0.80 EGFR (0.48) MAPTALDH1A1KMT2A
SCHEMBL2798947 0.80 EGFR (0.48) MAPTALDH1A1KMT2A
SCHEMBL2801170 0.79 FBP1 (0.50) MAPTCA1CA2ALDH1A1KMT2A
SCHEMBL4261335 0.79 FBP1 (0.50) MAPTCA1CA2ALDH1A1KMT2A
SCHEMBL4261334 0.79 FBP1 (0.50) MAPTCA1CA2ALDH1A1KMT2A

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-20090318454-A1 NOVEL ANTIOXIDANTS AND METHODS OF TREATMENT WEINER, CARL P 2009-12-24 US claimed
US-20090318454-A1 NOVEL ANTIOXIDANTS AND METHODS OF TREATMENT WEINER, CARL P 2009-12-24 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-20090318454-A1 NOVEL ANTIOXIDANTS AND METHODS OF TREATMENT GPX1, SOD1, GPX4 MAPT 3911/4885KDM4E 4059/4885HIF1A 372/4885

“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.