SCHEMBL5506240

SCHEMBL5506240

CC1=CC(C)(C)Nc2c(C)cc(-c3cccc(C#N)c3C)c(Cl)c21

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 19/20 0.39
▸ NR3C1 P04150 11/20 0.39
▸ AR P10275 5/20 0.37
▸ NR3C2 P08235 4/20 0.35
▸ NISCH Q9Y2I1 1/20 0.35

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
SCHEMBL5503883 0.81 PGR (0.56) PGRNR3C1ARNR3C2
SCHEMBL5506748 0.79 PGR (0.39) PGRNR3C1ARNR3C2
SCHEMBL5502831 0.77 ALDH1A1 (0.38) PGRNR3C1ARNR3C2
SCHEMBL5504043 0.75 NR3C1 (0.62) PGRNR3C1ARNR3C2
SCHEMBL27704548 0.74 PGR (0.44) PGRNR3C1ARNR3C2
SCHEMBL5502440 0.74 PGR (0.54) PGRNR3C1ARNR3C2
SCHEMBL5503876 0.73 PGR (0.39) PGRNR3C1ARNR3C2
SCHEMBL5502297 0.72 PGR (0.56) PGRNR3C1ARNR3C2
SCHEMBL27685680 0.71 BRD4 (0.39) PGRNR3C1
SCHEMBL4196337 0.70 PGR (0.39) PGRNR3C1ARNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 — — US claimed
EP-1778233-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2007-05-02 — — EP claimed
WO-2006019716-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2006-02-23 — — WO claimed
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 — — US disclosed
EP-1778233-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2007-05-02 — — EP disclosed
WO-2006019716-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2006-02-23 — — 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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS CASR, GRK2, RYR2 PGR 953/4885NR3C1 533/4885AR 486/4885

“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.

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