SCHEMBL6723545

SCHEMBL6723545

CS(=O)(=O)c1ccc(-c2nc(C(F)F)[nH]c2-c2cccc(C#N)c2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 7/20 0.38
PIN1 Q13526 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
MAPK14 Q16539 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALOX5 P09917 1/20 0.36
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
MAP4K4 O95819 1/20 0.35
GSK3A P49840 1/20 0.35
TRPA1 O75762 1/20 0.35
XDH P47989 1/20 0.35
ATR Q13535 1/20 0.35
MCHR1 Q99705 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
SCHEMBL6723433 0.91 MAPK14 (0.39) TYK2MAPK14ALOX5ATR
SCHEMBL6735176 0.88 PIN1 (0.39) TYK2PIN1KDM5BMAPK14PDE4A
SCHEMBL6723515 0.88 ALOX5 (0.40) TYK2MAPK14ALOX5
SCHEMBL6736960 0.87 TYK2 (0.38) TYK2PIN1KDM5BPDE4APDE4C
SCHEMBL6725894 0.87 MAPK14 (0.47) MAPK14ALOX5
SCHEMBL6722081 0.86 ALDH1A1 (0.47) MAPK14ALOX5
SCHEMBL6723556 0.86 MAPK14 (0.40) TYK2MAPK14ALOX5
SCHEMBL6722954 0.86 TGFBR1 (0.41) TYK2MAPK14ALOX5
SCHEMBL6730020 0.85 TYK2 (0.36) TYK2MAPK14
SCHEMBL6722966 0.85 ESR1 (0.40) PIN1KDM5BMAPK14PDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-05-13 US disclosed
EP-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 EP disclosed
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 US disclosed
WO-2001081332-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-11-01 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 (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-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, FPR1, PTGES2 TYK2 750/4885PIN1 3656/4885KDM5B 1805/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 TYK2 662/4885PIN1 3963/4885KDM5B 1691/4885

“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.