SCHEMBL5500179

SCHEMBL5500179

CC(=O)c1cccc(-c2c(Cl)cc3c(c2Cl)C(C)=CC(C)(C)N3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 14/20 0.47
▸ BRD4 O60885 1/20 0.40
▸ BRD2 P25440 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ CHEK1 O14757 1/20 0.37
▸ NR3C1 P04150 5/20 0.35
▸ AR P10275 3/20 0.34
▸ TDP2 O95551 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ ESR1 P03372 2/20 0.34
▸ NR3C2 P08235 2/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5500368 0.76 PGR (0.39) PGRBRD4BRD2CREBBPCHEK1
SCHEMBL4165485 0.75 PGR (0.67) PGRCHEK1NR3C1ARNR3C2
SCHEMBL12577690 0.68 BRD4 (0.59) PGRBRD4BRD2CREBBPCHEK1
SCHEMBL2689671 0.68 BRD4 (0.52) PGRBRD4BRD2CREBBPCHEK1
SCHEMBL5500966 0.68 BRD4 (0.49) PGRBRD4BRD2CREBBPMAPT
SCHEMBL5500199 0.66 ALDH1A1 (0.60) BRD4BRD2CREBBPLMNATP53
SCHEMBL5498807 0.65 PGR (0.37) PGRNR3C1ARNR3C2MAPT
SCHEMBL16426263 0.64 BRD4 (0.55) PGRBRD4BRD2CREBBP
SCHEMBL10389918 0.64 MAP4K4 (0.59) PGRBRD4BRD2CREBBPCHEK1
SCHEMBL4212927 0.64 RXRA (0.71) PGRBRD4BRD2CREBBPCHEK1

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 953/4885BRD4 933/4885BRD2 1497/4885

“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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