SCHEMBL1325110

SCHEMBL1325110

O=C(O)C1NC(C(=O)O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
EDNRA P25101 2/20 0.45
EDNRB P24530 1/20 0.41
ALDH1A1 P00352 3/20 0.40
EGFR P00533 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DAO P14920 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
ALOX15 P16050 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL20588789 0.78 ATM (0.45) TSHRNPSR1EDNRAALDH1A1EGFR
SCHEMBL28787105 0.75 MAPT (0.53) TSHRNPSR1ALDH1A1MEN1KMT2A
SCHEMBL7201340 0.73 TSHR (0.51) TSHRNPSR1ALDH1A1
SCHEMBL3732085 0.73 TSHR (0.51) TSHRNPSR1EDNRA
SCHEMBL8343006 0.73 TSHR (0.51) TSHRNPSR1EDNRAEDNRBALDH1A1
SCHEMBL10331857 0.72 NPSR1 (0.39) TSHRNPSR1EDNRAEDNRBALDH1A1
SCHEMBL4780423 0.72 ALDH1A1 (0.42) TSHRNPSR1EDNRAEDNRBALDH1A1
SCHEMBL3588372 0.72 ALDH1A1 (0.42) TSHRNPSR1EDNRAEDNRBALDH1A1
SCHEMBL10355854 0.70 EDNRA (0.50) TSHRNPSR1EDNRAEDNRBALDH1A1
SCHEMBL11527593 0.70 EDNRA (0.50) TSHRNPSR1EDNRAEDNRBALDH1A1

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-20110269716-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2011-11-03 US disclosed
EP-2344454-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE Queensland University Of Technology (AU) 2011-07-20 EP disclosed
WO-2010037172-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2010-04-08 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-20110269716-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE NQO1, NFE2L2, GPX4 TSHR 4251/4885NPSR1 2259/4885EDNRA 1755/4885

“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.