SCHEMBL6573122

SCHEMBL6573122

CCS(=O)(=O)Nc1cc(F)c(F)cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.50
PSIP1 O75475 1/20 0.49
AR P10275 1/20 0.43
SLC22A12 Q96S37 2/20 0.41
BRD4 O60885 1/20 0.41
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
S100A9 P06702 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KIF11 P52732 1/20 0.34

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
SCHEMBL6577272 0.88 PSIP1 (0.44) PGRPSIP1ARSLC22A12BRD4
SCHEMBL7753799 0.86 PGR (0.45) PGRPSIP1ARSLC22A12BRD4
SCHEMBL6574292 0.83 PGR (0.39) PGRARSLC22A12TRPV4KIF11
SCHEMBL7688191 0.82 PGR (0.40) PGRPSIP1ARSLC22A12BRD4
SCHEMBL4035205 0.81 PSIP1 (0.46) PGRPSIP1ARSLC22A12BRD4
SCHEMBL6662088 0.79 NLRP3 (0.44) PGRPSIP1ARBRD4HPGD
SCHEMBL5842931 0.78 PGR (0.43) PGRPSIP1ARSLC22A12BRD4
SCHEMBL8182967 0.77 PSIP1 (0.44) PGRPSIP1ARSLC22A12BRD4
SCHEMBL8054362 0.77 PGR (0.39) PGRPSIP1ARSLC22A12BRD4
SCHEMBL8902904 0.77 PGR (0.43) PGRPSIP1ARSLC22A12BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003718-B1 METHOD FOR THE PRODUCTION OF N-(5-AMINO-2-CYANO-4-FLUORO-PHENYL)-SULPHONAMIDES BAYER CROPSCIENCE AG (DE) 2004-04-28 EP disclosed
US-6545154-B2 Herbicides BAYER AKTIENGESELLSCHAFT (DE) 2003-04-08 US disclosed
US-20030040626-A1 Method for the production of N-(5-amino-2-cyano-4-fluoro-phenyl)-sulphonamides and new intermediate products HUPPERTS ACHIM (DE) 2003-02-27 US disclosed
US-6310206-B1 2-AMINO-4,5-DIFLUORO-BENZONITRILE IS REACTED A SULPHONYL HALIDES; N-(2-CYANO-4,5-DIFLUORO-PHENYL)-SULPHONAMIDES (CLAIMED AS INTERMEDIATES) OBTAINED IN THE FIRST STEP ARE AMINATED WITH AMMONIA BAYER AKTIENGESELLSCHAFT (DE) 2001-10-30 US disclosed
EP-1003718-A1 METHOD FOR THE PRODUCTION OF N-(5-AMINO-2-CYANO-4-FLUORO-PHENYL)-SULPHONAMIDES AND NEW INTERMEDIATE PRODUCTS BAYER AG (DE) 2000-05-31 EP disclosed
WO-1999005098-A1 METHOD FOR THE PRODUCTION OF N-(5-AMINO-2-CYANO-4-FLUORO-PHENYL)-SULPHONAMIDES AND NEW INTERMEDIATE PRODUCTS BAYER AKTIENGESELLSCHAFT (DE) 1999-02-04 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 (1 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-20030040626-A1 Method for the production of N-(5-amino-2-cyano-4-fluoro-phenyl)-sulphonamides and new intermediate products PFAS, SRM, NISCH PGR 4825/4885PSIP1 459/4885AR 4357/4885

“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.