SCHEMBL5128073

SCHEMBL5128073

O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)N(CC(F)(F)F)CCO3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 20/20 1.00
NR3C1 P04150 3/20 0.63
PGR P06401 2/20 0.62

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
SCHEMBL5128765 0.80 AR (0.66) ARNR3C1PGR
SCHEMBL5118400 0.78 AR (0.79) ARNR3C1PGR
SCHEMBL5118695 0.78 AR (1.00) ARNR3C1PGR
SCHEMBL7692659 0.78 AR (1.00) ARNR3C1PGR
SCHEMBL5115474 0.77 AR (1.00) ARNR3C1PGR
SCHEMBL5116132 0.77 AR (0.85) ARNR3C1PGR
SCHEMBL3013354 0.76 AR (1.00) ARNR3C1PGR
SCHEMBL5115858 0.75 AR (1.00) ARNR3C1PGR
SCHEMBL5122313 0.74 AR (0.87) ARNR3C1PGR
SCHEMBL5495883 0.74 AR (1.00) ARNR3C1PGR

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-7214690-B2 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-05-08 US claimed
US-20020183314-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2002-12-05 US claimed
US-20080300241-A9 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods HIGUCHI ROBERT I 2008-12-04 US disclosed
US-7214690-B2 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-05-08 US disclosed
US-20070072849-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2007-03-29 US disclosed
US-20020183314-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2002-12-05 US 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 (3 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-20020183314-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR AR 1/4885NR3C1 57/4885PGR 92/4885
US-20080300241-A9 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR AR 1/4885NR3C1 60/4885PGR 97/4885
US-20070072849-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR AR 1/4885NR3C1 60/4885PGR 97/4885

“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.