SCHEMBL5229536

SCHEMBL5229536

CC1CCc2cc3c(C(F)(F)F)cc(=O)oc3cc2NC1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 17/20 0.65
PGR P06401 10/20 0.58
NR3C2 P08235 4/20 0.58
NR3C1 P04150 3/20 0.57
ESR1 P03372 1/20 0.57
ESR2 Q92731 1/20 0.57
MCL1 Q07820 1/20 0.45
ATM Q13315 1/20 0.44

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
SCHEMBL5229542 1.00 AR (0.65) ARPGRNR3C2NR3C1ESR1
SCHEMBL5231908 1.00 AR (0.65) ARPGRNR3C2NR3C1ESR1
SCHEMBL5232384 0.85 AR (0.71) ARPGRNR3C2NR3C1ESR1
SCHEMBL5232382 0.85 AR (0.71) ARPGRNR3C2NR3C1ESR1
SCHEMBL5232387 0.85 AR (0.71) ARPGRNR3C2NR3C1ESR1
SCHEMBL14409284 0.85 AR (0.71) ARPGRNR3C2NR3C1ESR1
SCHEMBL5230657 0.84 AR (0.66) ARPGRNR3C2NR3C1ESR1
SCHEMBL14561713 0.84 AR (0.66) ARPGRNR3C2NR3C1ESR1
SCHEMBL5230663 0.84 AR (0.66) ARPGRNR3C2NR3C1ESR1
SCHEMBL5230650 0.84 AR (0.66) ARPGRNR3C2NR3C1ESR1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439841-B1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-09-19 EP claimed
US-7196076-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2007-03-27 US claimed
US-20040198717-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME CORP. 2004-10-07 US claimed
EP-1439841-B1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-09-19 EP disclosed
EP-1439841-B1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-09-19 EP disclosed
US-7196076-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2007-03-27 US disclosed
US-7196076-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2007-03-27 US disclosed
US-7196076-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2007-03-27 US disclosed
EP-1439841-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2005-11-09 EP disclosed
US-20040198717-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME CORP. 2004-10-07 US disclosed
EP-1439841-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2004-07-28 EP disclosed
WO-2003034987-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2003-05-01 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-20040198717-A1 Androgen receptor modulators and methods of use thereof AR, SHBG, FSHR AR 1/4885PGR 59/4885NR3C2 198/4885

“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.