SCHEMBL4294261

SCHEMBL4294261

O=C(CC(=O)C(F)(F)F)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.50
PLOD3 O60568 2/20 0.45
PLOD1 Q02809 2/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR35 Q9HC97 1/20 0.45
TTR P02766 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AURKB Q96GD4 1/20 0.43
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL2891927 0.82 TSHR (0.57) PLOD2PLOD3PLOD1ALDH1A1TSHR
SCHEMBL16914900 0.80 MAPK1 (0.51) MAPK1ALDH1A1TP53HPGDTSHR
SCHEMBL16914851 0.80 MAPK1 (0.51) MAPK1ALDH1A1TP53HPGDTSHR
SCHEMBL17266016 0.80 PLOD2 (0.61) PLOD2PLOD3PLOD1L3MBTL1CA12
SCHEMBL27897186 0.79 MAPK1 (0.53) MAPK1ALDH1A1TP53HPGDTSHR
SCHEMBL6179198 0.77 PLOD2 (0.62) PLOD2PLOD3PLOD1MAPK1ALDH1A1
SCHEMBL21775014 0.77 ALDH1A1 (0.51) MAPK1ALDH1A1TP53HPGDTSHR
SCHEMBL5526148 0.77 GSK3B (0.57) MAPK1ALDH1A1TP53HPGDTSHR
SCHEMBL11508685 0.75 CES2 (0.57) MAPK1ALDH1A1TP53HPGDTSHR
SCHEMBL11703945 0.75 TSHR (0.49) MAPK1ALDH1A1TP53HPGDTSHR

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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R PLOD2 4488/4885PLOD3 3009/4885PLOD1 4731/4885

“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.