SCHEMBL3870063

SCHEMBL3870063

CC1(C)OC(=S)Nc2ccc(-c3csc(C#N)c3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGR P06401 20/20 1.00
NR3C1 P04150 2/20 1.00
NR3C2 P08235 1/20 0.74
AR P10275 1/20 0.74

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
SCHEMBL3872257 0.85 PGR (1.00) PGRNR3C1NR3C2AR
SCHEMBL3873977 0.81 PGR (0.69) PGRNR3C1NR3C2AR
SCHEMBL3870856 0.81 PGR (1.00) PGRNR3C1
SCHEMBL3879414 0.80 PGR (1.00) PGRNR3C1NR3C2AR
SCHEMBL3872236 0.80 PGR (0.68) PGRNR3C1
SCHEMBL3869124 0.80 PGR (0.69) PGRNR3C1NR3C2AR
SCHEMBL6772265 0.79 PGR (1.00) PGRNR3C1NR3C2AR
SCHEMBL3876482 0.78 PGR (0.64) PGRNR3C1
SCHEMBL3870851 0.78 PGR (1.00) PGRNR3C1
SCHEMBL6888773 0.77 PGR (1.00) PGRNR3C1NR3C2AR

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329690-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH LLC (US) 2012-12-11 US claimed
US-20090281096-A1 CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2009-11-12 US claimed
US-7569564-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH (US) 2009-08-04 US claimed
EP-1175411-B1 CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH CORP (US) 2008-02-20 EP claimed
US-20060142280-A1 Such as 4-(4,4-Dimethyl-2-thioxo-1,4-dihydro-2H-benzo[d][1 ,3]oxazin-6-yl)-thiophene-2-carbonitrile; estrogen receptor agonists, progesterone receptor antagonists; hormone replacement therapy WYETH (US) 2006-06-29 US claimed
EP-1515725-A4 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH CORP (US) 2005-09-21 EP claimed
EP-1515725-A2 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS Wyeth (US) 2005-03-23 EP claimed
US-20040014798-A1 Cyclothiocarbamate derivatives as progesterone receptor modulators and methods of treating skin disorders WYETH 2004-01-22 US claimed
US-20040006060-A1 Methods of treating hormone-related conditions using cyclothiocarbamate derivatives WYETH 2004-01-08 US claimed
WO-2004000801-A2 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH (US) 2003-12-31 WO claimed
US-20030092711-A1 Contraceptives; hormone replacement therapy WYETH LLC 2003-05-15 US claimed
US-6436929-B1 3,1-BENZOXAZINE-2-THIONES; CONTRACEPTION AND THE TREATMENT OF PROGESTERONE-RELATED MALADIES WYETH 2002-08-20 US claimed
US-8796266-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH LLC (US) 2014-08-05 US disclosed
US-20130261112-A1 Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators WYETH LLC 2013-10-03 US disclosed
US-8466146-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH LLC (US) 2013-06-18 US disclosed
US-20130072480-A1 Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators WYETH LLC (US) 2013-03-21 US disclosed
WO-2004000801-A2 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH (US) 2003-12-31 WO disclosed
WO-2004000230-A2 CYCLOTHIOCARBAMATIVE DERIVATIVES AS PR MODULATORS AND USE THEREOF FOR TREATMENT OF SKIN DISORDERS WYETH (US) 2003-12-31 WO disclosed
US-20030092711-A1 Contraceptives; hormone replacement therapy WYETH LLC 2003-05-15 US disclosed
US-6436929-B1 3,1-BENZOXAZINE-2-THIONES; CONTRACEPTION AND THE TREATMENT OF PROGESTERONE-RELATED MALADIES WYETH 2002-08-20 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 (7 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-20060142280-A1 Such as 4-(4,4-Dimethyl-2-thioxo-1,4-dihydro-2H-benzo[d][1 ,3]oxazin-6-yl)-thiophene-2-carbonitrile; estrogen receptor agonists, progesterone receptor antagonists; hormone replacement therapy PGR, ESR1, GPER1 PGR 1/4885NR3C1 26/4885NR3C2 22/4885
US-20090281096-A1 CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 PGR 1/4885NR3C1 17/4885NR3C2 25/4885
US-20030092711-A1 Contraceptives; hormone replacement therapy PGR, GNRHR, GHRHR PGR 1/4885NR3C1 14/4885NR3C2 21/4885
US-20040006060-A1 Methods of treating hormone-related conditions using cyclothiocarbamate derivatives ESRRA, GNRHR, ESRRG PGR 46/4885NR3C1 79/4885NR3C2 75/4885
US-20130072480-A1 Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators PGR, PGRMC2, PGRMC1 PGR 1/4885NR3C1 17/4885NR3C2 25/4885
US-20130261112-A1 Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators PGR, PGRMC2, PGRMC1 PGR 1/4885NR3C1 17/4885NR3C2 25/4885
US-20040014798-A1 Cyclothiocarbamate derivatives as progesterone receptor modulators and methods of treating skin disorders NR5A1, MC1R, CYP17A1 PGR 7/4885NR3C1 17/4885NR3C2 27/4885

“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.