SCHEMBL4804347

SCHEMBL4804347

CN1C(=O)C(C)(C)c2cc(Br)cc(F)c21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 13/20 0.50
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
BACE1 P56817 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL14994480 0.80 PGR (0.36) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL5518051 0.79 PGR (0.88) PGR
SCHEMBL16245004 0.78 PGR (0.34) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL26640132 0.75 PGR (0.39) PGRKMT2A
SCHEMBL30642103 0.75 PGR (0.39) PGRKMT2A
SCHEMBL26640534 0.75 PGR (0.37) PGR
SCHEMBL31559921 0.73 ALDH1A1 (0.33) PGRALDH1A1HPGDPDE4APDE4B
SCHEMBL15579040 0.73 PGR (0.44) PGRBACE1MEN1KMT2A
SCHEMBL19629948 0.73 PGR (0.41) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL4805389 0.72 SLC6A2 (0.47) PGRALDH1A1BACE1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080114050-A1 Progesterone receptor modulators comprising pyrrole-oxindole derivatives and uses thereof WYETH (US) 2008-05-15 US disclosed
US-7317037-B2 Progesterone receptor modulators comprising pyrrole-oxindole derivatives and uses thereof WYETH (US) 2008-01-08 US disclosed
CN-1993123-A Progesterone receptor modulators containing pyrrole-oxindole derivatives and uses thereof WYETH CORP (US) 2007-07-04 CN disclosed
CN-1980660-A Contraceptive regimens and kits for progesterone receptor antagonists WYETH CORP (US) 2007-06-13 CN disclosed
EP-1773323-A1 PROGESTERONE RECEPTOR ANTAGONIST CONTRACEPTIVE REGIMENS AND KITS Wyeth (US) 2007-04-18 EP disclosed
WO-2006017075-A1 PROGESTERONE RECEPTOR ANTAGONIST CONTRACEPTIVE REGIMENS AND KITS WYETH (US) 2006-02-16 WO disclosed
US-20060030717-A1 Progesterone receptor modulators comprising pyrrole-oxindole derivatives and uses thereof WYETH (US) 2006-02-09 US disclosed
US-20060009509-A1 Progesterone receptor antagonists, contraceptive regimens, and kits WYETH (US) 2006-01-12 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-20060030717-A1 Progesterone receptor modulators comprising pyrrole-oxindole derivatives and uses thereof PGR, PGRMC2, PGRMC1 PGR 1/4885ALDH1A1 2361/4885HPGD 147/4885
US-20080114050-A1 Progesterone receptor modulators comprising pyrrole-oxindole derivatives and uses thereof PGR, PGRMC2, PGRMC1 PGR 1/4885ALDH1A1 2361/4885HPGD 147/4885
US-20060009509-A1 Progesterone receptor antagonists, contraceptive regimens, and kits GNRHR, PGRMC2, PGR PGR 3/4885ALDH1A1 2936/4885HPGD 323/4885

“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.