SCHEMBL5503876

SCHEMBL5503876

CC1=CC(C)(C)Nc2c(C)cc(-c3cncc(C#N)c3)c(Cl)c21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.39
▸ AR P10275 4/20 0.39
▸ NR3C1 P04150 2/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ P4HTM Q9NXG6 1/20 0.34
▸ BACE1 P56817 3/20 0.33
▸ BACE2 Q9Y5Z0 2/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ USP7 Q93009 1/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32

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 0.83 PGR (0.56) PGRARNR3C1NR3C2KDM4E
SCHEMBL5506240 0.73 PGR (0.39) PGRARNR3C1NR3C2
SCHEMBL5502831 0.72 ALDH1A1 (0.38) PGRARNR3C1NR3C2KDM4E
SCHEMBL4170534 0.71 PGR (0.72) PGRARNR3C1NR3C2KDM4E
SCHEMBL5508770 0.68 ALDH1A1 (0.38) PGRARNR3C1KDM4EALDH1A1
SCHEMBL5506294 0.67 PGR (0.65) PGRARNR3C1NR3C2
SCHEMBL5506049 0.66 PGR (0.44) PGRARNR3C1NR3C2KDM4E
SCHEMBL5498807 0.65 PGR (0.37) PGRARNR3C1NR3C2MAPT
SCHEMBL5500041 0.65 PGR (0.37) PGRARNR3C1NR3C2KDM4E
SCHEMBL5503508 0.64 PGR (0.59) PGRNR3C1KDM4EALDH1A1LMNA

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 8 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
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
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.

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