SCHEMBL7809571

SCHEMBL7809571

Nc1ccc(NCCOS(=O)(=O)O)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.46
PRSS1 P07477 10/20 0.41
GAA P10253 4/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 3/20 0.39
RAPGEF4 Q8WZA2 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 2/20 0.37
THRB P10828 2/20 0.37
HPGD P15428 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
NSD2 O96028 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
APOBEC3A P31941 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
SCHEMBL4816515 0.85 MAPT (0.40) PTGER4GAAMAPTALDH1A1HSD17B10
Sulfuric Acid SCHEMBL8107597 0.84 PRSS1 (0.50) PTGER4PRSS1GAAMAPTALDH1A1
SCHEMBL9728996 0.83 RAPGEF4 (0.40) PTGER4GAAMAPTALDH1A1HSD17B10
Sulfuric Acid SCHEMBL8097992 0.81 PRSS1 (0.53) PTGER4PRSS1GAAMAPTALDH1A1
Sulfuric Acid SCHEMBL7809563 0.80 PRSS1 (0.44) PTGER4PRSS1GAAMAPTALDH1A1
SCHEMBL4824425 0.78 APP (0.39) PRSS1MAPTALDH1A1RAPGEF4CYP3A4
SCHEMBL17774703 0.75 RAPGEF4 (0.39) PTGER4PRSS1GAAMAPTALDH1A1
SCHEMBL17774704 0.73 HSD17B10 (0.37) PRSS1GAAMAPTALDH1A1HSD17B10
SCHEMBL2927441 0.73 PRSS1 (0.49) PTGER4PRSS1GAAMAPTALDH1A1
SCHEMBL5699206 0.72 PRSS1 (0.44) PTGER4PRSS1MAPTALDH1A1HSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010005914-A1 OXIDATION DYES ANDREAS J. BITTNER 2001-07-05 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-20010005914-A1 OXIDATION DYES AOC1, CBR3, KRT18 PTGER4 1284/4885PRSS1 4608/4885GAA 4430/4885

“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.