SCHEMBL3455240

SCHEMBL3455240

CC1(O)COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 20/20 0.60
NR3C1 P04150 3/20 0.60
PGR P06401 3/20 0.60

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
SCHEMBL3013354 0.75 AR (1.00) ARNR3C1PGR
SCHEMBL3016771 0.75 AR (0.66) ARNR3C1PGR
SCHEMBL3010572 0.75 AR (1.00) ARNR3C1PGR
SCHEMBL14470867 0.75 AR (1.00) ARNR3C1PGR
SCHEMBL4187093 0.75 AR (1.00) ARNR3C1PGR
SCHEMBL3021004 0.74 AR (0.64) ARNR3C1PGR
SCHEMBL3006990 0.74 AR (1.00) ARNR3C1PGR
SCHEMBL3119089 0.73 AR (1.00) ARNR3C1PGR
SCHEMBL3456102 0.73 AR (1.00) ARNR3C1PGR
SCHEMBL3017253 0.73 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212330-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2006-04-19 EP claimed
US-20030186970-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC, 2003-10-02 US claimed
US-6462038-B1 SUCH AS 1,2,3,6-TETRAHYDRO-1-METHYL-9-(TRIFLUOROMETHYL)-7H-(1,4)OXAZINO(3,2 -G)QUINOLIN-7-ONE; NONSTEROIDAL, HIGH AFFINITY AND SPECIFICITY ANTAGONISTS AND AGONISTS OR PARTIAL AGONISTS, I.E. PARTIAL AND/OR TISSUE SPECIFIC ACTIVATORS LIGAND PHARMACEUTICALS, INC. 2002-10-08 US claimed
WO-2001016139-A9 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2002-09-19 WO claimed
EP-1212330-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP claimed
WO-2001016139-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 WO claimed
EP-2199284-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING ACCUMULATION OF AMYLOID- BETA PROTEIN Sumitomo Chemical Company, Limited (JP) 2010-06-23 EP disclosed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
US-20070167445-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070167445-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070167445-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2007-07-19 US disclosed
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 WO disclosed
EP-1212330-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2006-04-19 EP disclosed
US-20030186970-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC, 2003-10-02 US disclosed
US-6462038-B1 SUCH AS 1,2,3,6-TETRAHYDRO-1-METHYL-9-(TRIFLUOROMETHYL)-7H-(1,4)OXAZINO(3,2 -G)QUINOLIN-7-ONE; NONSTEROIDAL, HIGH AFFINITY AND SPECIFICITY ANTAGONISTS AND AGONISTS OR PARTIAL AGONISTS, I.E. PARTIAL AND/OR TISSUE SPECIFIC ACTIVATORS LIGAND PHARMACEUTICALS, INC. 2002-10-08 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-20030186970-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR AR 1/4885NR3C1 20/4885PGR 96/4885
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA AR 1/4885NR3C1 21/4885PGR 44/4885
US-20070167445-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR AR 1/4885NR3C1 20/4885PGR 96/4885

“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.