SCHEMBL4287760

SCHEMBL4287760

O=C1COc2c(F)cc(C(=O)CC(=O)C(F)(F)F)cc2N1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
PLOD2 O00469 2/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NR3C1 P04150 2/20 0.38
PGR P06401 2/20 0.38
NR3C2 P08235 2/20 0.38
PKM P14618 2/20 0.38
PLOD3 O60568 1/20 0.37
PLOD1 Q02809 1/20 0.37
ADRB2 P07550 4/20 0.36
ADRB1 P08588 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL4287097 0.88 ALDH1A1 (0.43) ALDH1A1MAPTPLOD2GAAKDM4E
SCHEMBL4295975 0.87 NR3C2 (0.43) ALDH1A1MAPTPLOD2GAANR3C1
SCHEMBL4296049 0.87 ALDH1A1 (0.40) ALDH1A1MAPTPLOD2GAAPKM
SCHEMBL4297388 0.84 LMNA (0.45) ALDH1A1MAPTGAAKDM4EADRB2
SCHEMBL4169081 0.82 ALDH1A1 (0.60) ALDH1A1MAPTGAAKDM4ENR3C1
SCHEMBL4294026 0.79 ALDH1A1 (0.67) ALDH1A1MAPTGAAKDM4EPKM
SCHEMBL20580495 0.79 GAA (0.44) ALDH1A1MAPTGAAKDM4ENR3C1
SCHEMBL4299788 0.79 NR3C2 (0.42) ALDH1A1MAPTGAANR3C1PGR
SCHEMBL4289205 0.78 NR3C2 (0.45) ALDH1A1MAPTGAAKDM4ENR3C1
SCHEMBL4286608 0.77 NR3C2 (0.46) ALDH1A1MAPTKDM4ENR3C1PGR

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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R ALDH1A1 2708/4885MAPT 4442/4885PLOD2 4488/4885

“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.