SCHEMBL5499009

SCHEMBL5499009

Cc1cc(-c2ccc([N+](=O)[O-])s2)c(Cl)c2c1NC(C)(C)CC2C

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGR P06401 20/20 0.52
NR3C1 P04150 17/20 0.52
AR P10275 7/20 0.52
NR3C2 P08235 5/20 0.52

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
SCHEMBL5503103 0.81 PGR (0.60) PGRNR3C1ARNR3C2
SCHEMBL5508304 0.80 PGR (0.60) PGRNR3C1ARNR3C2
SCHEMBL5650830 0.78 PGR (0.58) PGRNR3C1ARNR3C2
SCHEMBL5505736 0.77 NR3C1 (0.59) PGRNR3C1ARNR3C2
SCHEMBL5501612 0.75 NR3C1 (0.66) PGRNR3C1ARNR3C2
SCHEMBL5508824 0.74 NR3C1 (0.69) PGRNR3C1ARNR3C2
SCHEMBL5500302 0.72 NR3C1 (0.49) PGRNR3C1ARNR3C2
SCHEMBL5500939 0.72 NR3C1 (0.55) PGRNR3C1ARNR3C2
SCHEMBL5504610 0.72 NR3C1 (0.53) PGRNR3C1ARNR3C2
SCHEMBL5503354 0.71 NR3C1 (0.61) 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.