SCHEMBL79961

SCHEMBL79961

Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)C[NH+]([S-])O2

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PGR P06401 19/20 0.57
AR P10275 2/20 0.45
NR3C2 P08235 1/20 0.45

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
SCHEMBL80296 0.87 PGR (0.57) PGRARNR3C2
SCHEMBL5436855 0.72 PGR (1.00) PGRAR
SCHEMBL4430405 0.71 PGR (1.00) PGRARNR3C2
SCHEMBL80297 0.71 PGR (0.60) PGRARNR3C2
SCHEMBL4471074 0.71 PGR (0.51) PGRAR
SCHEMBL2884729 0.70 PGR (0.62) PGRARNR3C2
SCHEMBL17471460 0.70 PGR (0.71) PGRARNR3C2
SCHEMBL14989874 0.70 PGR (0.65) PGRARNR3C2
Hydrochloric Acid SCHEMBL2880165 0.69 PGR (0.61) PGRARNR3C2
SCHEMBL79962 0.69 PGR (0.60) PGRARNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129524-B2 Cyanopyrrole containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH LLC (US) 2012-03-06 US claimed
US-20120016118-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH LLC (US) 2012-01-19 US claimed
US-8003784-B2 Cyanopyrrole containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH LLC (US) 2011-08-23 US claimed
US-20090306371-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH (US) 2009-12-10 US claimed
US-7582755-B2 Such as 2-amino-5-(5-cyano-1-methyl-1H-pyrrol-2-yl) benzoic acid methyl ester by reacting cyanopyrrole with coupling agent, reacting with anthranilic alcohol or anthranilic nitro alcohol to form cyanopyrrole substituted anthranilic alcohol or cyanopyrrole substituted anthranilic nitro alcohol, reducing WYETH (US) 2009-09-01 US claimed
EP-1756095-B1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH CORP (US) 2008-05-21 EP claimed
US-20050239779-A1 Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH (US) 2005-10-27 US claimed
US-8168672-B2 Thioamide derivatives as progesterone receptor modulators WYETH (US) 2012-05-01 US disclosed
US-8129524-B2 Cyanopyrrole containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH LLC (US) 2012-03-06 US disclosed
US-20120016118-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH LLC (US) 2012-01-19 US disclosed
US-8003784-B2 Cyanopyrrole containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH LLC (US) 2011-08-23 US disclosed
US-7659265-B2 Thioamide derivatives as progesterone receptor modulators WYETH (US) 2010-02-09 US disclosed
US-20090306371-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH (US) 2009-12-10 US disclosed
US-20080167299-A1 THIOAMIDE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2008-07-10 US disclosed
EP-1756095-B1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH CORP (US) 2008-05-21 EP disclosed
US-7358246-B2 Thioamide derivatives as progesterone receptor modulators WYETH (US) 2008-04-15 US disclosed
EP-1732921-A1 THIOAMIDE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS Wyeth (US) 2006-12-20 EP disclosed
US-20050239779-A1 Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH (US) 2005-10-27 US disclosed
WO-2005100346-A1 THIOAMIDE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2005-10-27 WO disclosed
US-20050227971-A1 Thioamide derivatives as progesterone receptor modulators WYETH (US) 2005-10-13 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 (5 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-20050239779-A1 Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same CBR3, MMAB, CTH PGR 1697/4885AR 1796/4885NR3C2 1141/4885
US-20050227971-A1 Thioamide derivatives as progesterone receptor modulators PGR, PGRMC2, PGRMC1 PGR 1/4885AR 69/4885NR3C2 27/4885
US-20120016118-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME CBR3, CTH, MMAB PGR 2282/4885AR 1929/4885NR3C2 1420/4885
US-20080167299-A1 THIOAMIDE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 PGR 1/4885AR 69/4885NR3C2 27/4885
US-20090306371-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME CBR3, CTH, MMAB PGR 2293/4885AR 1991/4885NR3C2 1417/4885

“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.