SCHEMBL7044152

SCHEMBL7044152

Cc1cc(-c2cccnc2-c2ccc(S(C)(=O)=O)c(F)c2)ccc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.40
PTGS1 P23219 1/20 0.40
GRM2 Q14416 2/20 0.39
SYK P43405 1/20 0.38
NR1H2 P55055 4/20 0.38
NR1H3 Q13133 3/20 0.38
KMO O15229 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ALOX5AP P20292 5/20 0.37
FEN1 P39748 5/20 0.37
TRPV1 Q8NER1 1/20 0.37
GRM4 Q14833 1/20 0.37
GLO1 Q04760 1/20 0.36

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
SCHEMBL7046231 0.92 SYK (0.40) PTGS2PTGS1SYKNR1H2NR1H3
SCHEMBL7046168 0.91 PTGS1 (0.40) PTGS2PTGS1GRM2KMOFFAR1
SCHEMBL7544751 0.85 PTGS2 (0.45) PTGS2PTGS1SYKALOX5APFEN1
SCHEMBL7041595 0.85 PTGS2 (0.47) PTGS2PTGS1SYKNR1H2NR1H3
SCHEMBL7537379 0.85 PTGS2 (0.47) PTGS2PTGS1SYKKMOALOX5AP
SCHEMBL7541582 0.84 DHODH (0.43) PTGS2PTGS1NR1H2NR1H3
SCHEMBL7044133 0.84 NR1H2 (0.44) PTGS2PTGS1NR1H2NR1H3KMO
SCHEMBL6723304 0.84 FFAR1 (0.38) PTGS2PTGS1GRM2KMOFFAR1
SCHEMBL6746002 0.84 PTGS2 (0.41) PTGS2PTGS1GRM2KMOFFAR1
SCHEMBL7048786 0.84 PTGS2 (0.47) PTGS2PTGS1SYKKMOALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, FPR1, PTGES2 PTGS2 5/4885PTGS1 4/4885GRM2 893/4885

“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.