SCHEMBL5506294

SCHEMBL5506294

CC1=CC(C)(C)Nc2ccc(-c3cccc(C#N)c3)c(Cl)c21

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 20/20 0.65
▸ AR P10275 8/20 0.65
▸ NR3C1 P04150 8/20 0.46
▸ NR3C2 P08235 3/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43

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 0.84 PGR (0.56) PGRARNR3C1NR3C2
SCHEMBL5496654 0.80 PGR (0.56) PGRARNR3C1NR3C2ESR1
SCHEMBL4189738 0.79 PGR (1.00) PGRARNR3C1NR3C2
SCHEMBL4172186 0.78 PGR (0.66) PGRARNR3C1NR3C2ESR1
SCHEMBL5495706 0.77 PGR (0.43) PGRARNR3C1NR3C2ESR1
SCHEMBL5499012 0.76 PGR (0.41) PGRAR
SCHEMBL5498189 0.74 PGR (0.47) PGRARNR3C1NR3C2ESR1
SCHEMBL5515154 0.73 NR3C1 (0.44) PGRARNR3C1NR3C2ESR1
SCHEMBL5502164 0.73 PGR (0.43) PGRARNR3C1NR3C2
SCHEMBL5502698 0.72 PGR (0.50) PGRARNR3C1NR3C2ESR1

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
CN-101018552-A Intracellular receptor modulator compounds and methods LIGAND PHARM INC (US) 2007-08-15 — — CN claimed
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 — — US disclosed
CN-101018552-A Intracellular receptor modulator compounds and methods LIGAND PHARM INC (US) 2007-08-15 — — CN 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 953/4885AR 486/4885NR3C1 533/4885

“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.

Send feedback