SCHEMBL1127250

SCHEMBL1127250

NC(=O)C(=O)c1ccc2ccccc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.76
CES1 P23141 1/20 0.76
F2 P00734 1/20 0.59
PLG P00747 1/20 0.59
PLAU P00749 1/20 0.59
KLKB1 P03952 1/20 0.59
KLK1 P06870 1/20 0.59
PRSS1 P07477 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
EGFR P00533 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53

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
SCHEMBL31032483 0.87 CES2 (1.00) CES2CES1F2PLGPLAU
SCHEMBL7220072 0.87 CES2 (1.00) CES2CES1F2PLGPLAU
SCHEMBL31474564 0.83 CES2 (0.83) CES2CES1F2PLGPLAU
SCHEMBL29462782 0.83 CES2 (0.68) CES2CES1F2PLGPLAU
SCHEMBL546633 0.83 CES2 (0.68) CES2CES1F2PLGPLAU
SCHEMBL26903783 0.83 CES2 (0.68) CES2CES1F2PLGPLAU
Beta-Naphtoic Acid SCHEMBL28745133 0.82 CES2 (0.61) CES2CES1F2PLGPLAU
Hydrochloric Acid SCHEMBL8358165 0.81 CES2 (0.65) CES2CES1F2PLGPLAU
SCHEMBL14876982 0.81 CES2 (0.87) CES2CES1SMN1; SMN2KDM4EHPGD
Hydrochloric Acid SCHEMBL22558829 0.81 CES2 (0.65) CES2CES1F2PLGPLAU

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-20060025445-A1 11-Beta HSD1 inhibitors WYETH 2006-02-02 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-20060025445-A1 11-Beta HSD1 inhibitors HSD11B1, HSD11B2, HSD3B1 CES2 1431/4885CES1 35/4885F2 4443/4885

“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.