SCHEMBL4611092

SCHEMBL4611092

CCCS(=O)(=O)Nc1ccc(-c2ccc(C#N)n2C)c(C#N)c1

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 15/20 0.85
AR P10275 4/20 0.53
JAK1 P23458 1/20 0.45
AURKA O14965 1/20 0.41
KDR P35968 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL4611510 0.92 PGR (1.00) PGRAR
SCHEMBL4610801 0.88 PGR (0.85) PGRAR
SCHEMBL4610587 0.85 PGR (0.86) PGRARJAK1
SCHEMBL4611592 0.84 PGR (0.78) PGRAR
SCHEMBL4612011 0.82 PGR (1.00) PGRAR
SCHEMBL4660243 0.81 PGR (0.82) PGRARAURKAKDRAURKB
SCHEMBL4609938 0.79 PGR (1.00) PGRAR
SCHEMBL4610915 0.79 PGR (0.83) PGRARAURKAKDRAURKB
SCHEMBL4598279 0.78 PGR (0.84) PGRAR
SCHEMBL4611754 0.76 PGR (1.00) PGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1909785-A2 USE OF PROGESTERONE RECEPTOR MODULATORS Wyeth a Corporation of the State of Delaware (US) 2008-04-16 EP claimed
EP-1910285-A1 CYANOPYRROLE-SULFONAMIDE PROGESTERONE RECEPTOR MODULATORS AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-04-16 EP claimed
US-7291643-B2 Cyanopyrrole-sulfonamide progesterone receptor modulators and uses thereof WYETH (US) 2007-11-06 US claimed
WO-2007016212-A1 CYANOPYRROLE-SULFONAMIDE PROGESTERONE RECEPTOR MODULATORS AND USES THEREOF WYETH (US) 2007-02-08 WO claimed
WO-2007016385-A2 USE OF SUBSTITUTED 5-AMINO-1H-PYRROLE-2-CARBONITRILE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2007-02-08 WO claimed
US-20070027201-A1 Use of progesterone receptor modulators WYETH (US) 2007-02-01 US claimed
US-20070027126-A1 E.g., N-[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]propane-1-sulfonamide and tert-butyl 2-cyano-5-{4-{(ethylsulfonyl)amino]phenyl}-1H-pyrrole-1-carboxylate; useful for contraception and hormone replacement therapy WYETH (US) 2007-02-01 US claimed
EP-1909785-A2 USE OF PROGESTERONE RECEPTOR MODULATORS Wyeth a Corporation of the State of Delaware (US) 2008-04-16 EP disclosed
EP-1910285-A1 CYANOPYRROLE-SULFONAMIDE PROGESTERONE RECEPTOR MODULATORS AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-04-16 EP disclosed
US-7291643-B2 Cyanopyrrole-sulfonamide progesterone receptor modulators and uses thereof WYETH (US) 2007-11-06 US disclosed
WO-2007016385-A2 USE OF SUBSTITUTED 5-AMINO-1H-PYRROLE-2-CARBONITRILE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2007-02-08 WO disclosed
WO-2007016212-A1 CYANOPYRROLE-SULFONAMIDE PROGESTERONE RECEPTOR MODULATORS AND USES THEREOF WYETH (US) 2007-02-08 WO disclosed
US-20070027201-A1 Use of progesterone receptor modulators WYETH (US) 2007-02-01 US disclosed
US-20070027126-A1 E.g., N-[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]propane-1-sulfonamide and tert-butyl 2-cyano-5-{4-{(ethylsulfonyl)amino]phenyl}-1H-pyrrole-1-carboxylate; useful for contraception and hormone replacement therapy WYETH (US) 2007-02-01 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 (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-20070027201-A1 Use of progesterone receptor modulators GNRHR, PGR, FSHR PGR 2/4885AR 28/4885JAK1 2315/4885
US-20070027126-A1 E.g., N-[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]propane-1-sulfonamide and tert-butyl 2-cyano-5-{4-{(ethylsulfonyl)amino]phenyl}-1H-pyrrole-1-carboxylate; useful for contraception and hormone replacement therapy GNRHR, PGR, PRLHR PGR 2/4885AR 165/4885JAK1 329/4885

“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.