SCHEMBL3376772

SCHEMBL3376772

CC1(C)OC(=O)Nc2ncc(Br)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 15/20 0.38
AKR1B1 P15121 1/20 0.36
PLK4 O00444 1/20 0.34
AR P10275 2/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
FYN P06241 1/20 0.33
RET P07949 1/20 0.33
MET P08581 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33

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
SCHEMBL14818906 0.82 PGR (0.39) PGRARNR3C1NR3C2
SCHEMBL3379932 0.82 PGR (0.39) PGRARNR3C1NR3C2
SCHEMBL3380290 0.78 PGR (0.37) PGRARNR3C1NR3C2
SCHEMBL3381895 0.77 PGR (0.41) PGR
SCHEMBL22796783 0.75 PLK4 (0.34) AKR1B1PLK4CDK8
SCHEMBL8919222 0.75 MAP3K11 (0.51) PGRAKR1B1PLK4AURKADAPK3
Hydrochloric Acid SCHEMBL29996068 0.74 PLK4 (0.33) AKR1B1PLK4CDK8
SCHEMBL30032831 0.73 PGR (0.37) PGRARNR3C1NR3C2
SCHEMBL7635650 0.71 PGR (0.65) PGRARNR3C1NR3C2
SCHEMBL3378486 0.71 PGR (0.46) PGRARNR3C1NR3C2

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-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-06-24 US disclosed
EP-1844768-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-10-17 EP disclosed
EP-1173208-A2 CONTRACEPTIVE COMPOSITIONS CONTAINING CYCLIC UREA AND AMIDE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2002-01-23 EP disclosed
EP-1173443-A1 CYCLIC UREA AND CYCLIC AMIDE DERIVATIVES American Home Products Corporation (US) 2002-01-23 EP disclosed
WO-2000066103-A2 CONTRACEPTIVE COMPOSITIONS CONTAINING CYCLIC UREA AND AMIDE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066592-A1 CYCLIC UREA AND CYCLIC AMIDE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 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-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR NR3C2, AGTR1, AGTR2 PGR 288/4885AKR1B1 31/4885PLK4 2256/4885

“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.