SCHEMBL5514404

SCHEMBL5514404

Cn1c(C#N)ccc1-c1ccc2c(c1)C1(CCCC1)OC(=O)N2

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGR P06401 20/20 0.72
NR3C2 P08235 4/20 0.52
AR P10275 4/20 0.52
NR3C1 P04150 2/20 0.52

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
SCHEMBL5517244 0.99 PGR (0.71) PGRNR3C2ARNR3C1
SCHEMBL5515576 0.98 PGR (0.72) PGRNR3C2ARNR3C1
SCHEMBL5512561 0.87 PGR (0.72) PGRNR3C2ARNR3C1
SCHEMBL5522445 0.86 PGR (0.71) PGRNR3C2ARNR3C1
SCHEMBL5512888 0.85 PGR (0.72) PGRNR3C2ARNR3C1
SCHEMBL61743 0.84 PGR (1.00) PGRNR3C2ARNR3C1
SCHEMBL4185522 0.83 PGR (0.98) PGRNR3C2ARNR3C1
SCHEMBL5518269 0.81 PGR (0.74) PGRNR3C2ARNR3C1
SCHEMBL5508205 0.81 PGR (1.00) PGRNR3C2ARNR3C1
SCHEMBL5515556 0.80 PGR (0.72) PGRNR3C2ARNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268149-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators and methods of treating skin disorders WYETH (US) 2007-09-11 US disclosed
US-7192956-B2 Methods of treating hormone-related conditions using cyclothiocarbamate derivatives WYETH (US) 2007-03-20 US disclosed
EP-1515725-A4 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH CORP (US) 2005-09-21 EP disclosed
EP-1515725-A2 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS Wyeth (US) 2005-03-23 EP disclosed
US-20040014798-A1 Cyclothiocarbamate derivatives as progesterone receptor modulators and methods of treating skin disorders WYETH 2004-01-22 US disclosed
US-20040006060-A1 Methods of treating hormone-related conditions using cyclothiocarbamate derivatives WYETH 2004-01-08 US disclosed
WO-2004000801-A2 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH (US) 2003-12-31 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 (2 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-20040006060-A1 Methods of treating hormone-related conditions using cyclothiocarbamate derivatives ESRRA, GNRHR, ESRRG PGR 46/4885NR3C2 75/4885AR 118/4885
US-20040014798-A1 Cyclothiocarbamate derivatives as progesterone receptor modulators and methods of treating skin disorders NR5A1, MC1R, CYP17A1 PGR 7/4885NR3C2 27/4885AR 45/4885

“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.