SCHEMBL6720239

SCHEMBL6720239

NC(CF)(C(=O)O)C(O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AOC3 Q16853 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 1/20 0.39
GRM2 Q14416 2/20 0.39
GRM3 Q14832 2/20 0.39
BCAT2 O15382 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 3/20 0.37
CYP1A2 P05177 2/20 0.37
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
SRC P12931 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX1 P07099 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
SCHEMBL22077893 0.86 BLM (0.40) LMNAHIF1ATDP1SRC
SCHEMBL25596197 0.85 LMNA (0.41) LMNASMN1; SMN2
SCHEMBL29833611 0.75 LMNA (0.47) LMNACES2CES1AOC3MAPK1
SCHEMBL14201480 0.73 SMN1; SMN2 (0.42) SMN1; SMN2HIF1AGRM2GRM3
SCHEMBL3109358 0.72 AOC3 (0.52) LMNACES2CES1AOC3MAPK1
SCHEMBL3109355 0.72 AOC3 (0.52) LMNACES2CES1AOC3MAPK1
SCHEMBL15114536 0.71 LMNA (0.47) LMNACES2CES1AOC3MAPK1
SCHEMBL14201435 0.70 TRPA1 (0.49) CES1MAPK1SMN1; SMN2GRM2GRM3
SCHEMBL11180172 0.70 LMNA (0.50) LMNACES2CES1AOC3MAPK1
SCHEMBL22074701 0.69 ESR1 (0.41) LMNASMN1; SMN2HIF1ATDP1SRC

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-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 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-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH LMNA 3420/4885CES2 586/4885CES1 1124/4885

“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.