SCHEMBL5505164

SCHEMBL5505164

CC1=CC(C)(C)Nc2c(F)cc(-c3cccc([N+](=O)[O-])c3)c(Cl)c21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.54
▸ NR3C1 P04150 1/20 0.40
▸ NR3C2 P08235 1/20 0.40
▸ AR P10275 1/20 0.40
▸ AKR1C3 P42330 2/20 0.40
▸ AKR1C2 P52895 2/20 0.40
▸ TDP2 O95551 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37

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
SCHEMBL4180726 0.89 PGR (0.56) PGRNR3C1NR3C2ARAKR1C3
SCHEMBL5502297 0.89 PGR (0.56) PGRNR3C1NR3C2ARAKR1C3
SCHEMBL4172186 0.81 PGR (0.66) PGRNR3C1NR3C2AR
SCHEMBL4179783 0.80 PGR (0.67) PGRARAKR1C3AKR1C2TDP2
SCHEMBL4172718 0.76 PGR (0.67) PGRNR3C1NR3C2ARAKR1C3
SCHEMBL4174299 0.73 PGR (0.71) PGRNR3C1NR3C2AR
SCHEMBL4180267 0.73 PGR (0.70) PGRNR3C1NR3C2ARAKR1C3
SCHEMBL4180394 0.71 PGR (0.74) PGRNR3C1NR3C2ARAKR1C3
SCHEMBL4172424 0.70 PGR (0.66) PGRNR3C1NR3C2ARTDP2
SCHEMBL4183026 0.70 PGR (1.00) PGRNR3C1NR3C2AR

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 533/4885NR3C2 605/4885

“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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