SCHEMBL4611472

SCHEMBL4611472

CCS(=O)(=O)Nc1ccc(-c2ccc(C#N)[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.51
KIT P10721 3/20 0.46
KIF11 P52732 1/20 0.46
HPGD P15428 6/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR3C2 P08235 1/20 0.42
PLK4 O00444 1/20 0.40
DAPK3 O43293 1/20 0.40
DYRK3 O43781 1/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK1 P06493 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
MARK3 P27448 1/20 0.40
TYK2 P29597 1/20 0.40
CLK2 P49760 1/20 0.40

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
SCHEMBL6727738 0.75 PGR (0.58) PGRKIF11HPGDLMNAHTT
SCHEMBL28549758 0.73 CA1 (0.61) PGRKIF11HPGDLMNAHTT
Water SCHEMBL27928728 0.69 HPGD (0.62) PGRKIF11HPGDLMNAHTT
SCHEMBL4611480 0.68 PGR (1.00) PGRAR
SCHEMBL19303636 0.67 HPGD (0.64) KITKIF11HPGDLMNAHTT
SCHEMBL5132601 0.67 PGR (0.74) PGRKIF11HPGDLMNAHTT
SCHEMBL1972989 0.66 HPGD (0.67) KIF11HPGDLMNAHTTSMN1; SMN2
SCHEMBL13074417 0.66 AR (0.52) PGRAR
SCHEMBL15629710 0.65 PRKCZ (0.48) PGRKIF11HPGDLMNAHTT
SCHEMBL4598912 0.65 PGR (0.74) PGRKIF11HPGDLMNAHTT

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-2007016385-A2 USE OF SUBSTITUTED 5-AMINO-1H-PYRROLE-2-CARBONITRILE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2007-02-08 WO claimed
WO-2007016212-A1 CYANOPYRROLE-SULFONAMIDE PROGESTERONE RECEPTOR MODULATORS AND USES THEREOF 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-2007016212-A1 CYANOPYRROLE-SULFONAMIDE PROGESTERONE RECEPTOR MODULATORS AND USES THEREOF WYETH (US) 2007-02-08 WO 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
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 2/4885KIT 851/4885KIF11 1642/4885
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 2/4885KIT 2287/4885KIF11 3390/4885

“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.