SCHEMBL7045231

SCHEMBL7045231

Cc1cccc(-c2ccncc2-c2ccc(S(C)(=O)=O)c(F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.46
RPS6KA3 P51812 5/20 0.43
CYP2A6 P11509 1/20 0.43
PTGS2 P35354 1/20 0.42
SLC22A12 Q96S37 1/20 0.40
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 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
SCHEMBL6736099 0.86 TGFBR1 (0.45) TGFBR1RPS6KA3CYP2A6PTGS2SLC22A12
SCHEMBL6735985 0.85 CYP2A6 (0.41) TGFBR1RPS6KA3CYP2A6PTGS2SLC22A12
SCHEMBL7116024 0.82 RPS6KA3 (0.64) RPS6KA3PTGS2SLC22A12NR1H2NR1H3
SCHEMBL6718301 0.82 TGFBR1 (0.45) TGFBR1RPS6KA3CYP2A6PTGS2SLC22A12
SCHEMBL6722767 0.81 PTGS2 (0.44) TGFBR1PTGS2ALOX5APFEN1PIK3CD
SCHEMBL7545909 0.81 SLC22A12 (0.57) RPS6KA3PTGS2SLC22A12ALOX5APFEN1
SCHEMBL7044027 0.81 PTGS2 (0.41) RPS6KA3PTGS2ALOX5APFEN1PIK3CD
SCHEMBL7045230 0.81 RPS6KA3 (0.57) RPS6KA3PTGS2SLC22A12ALOX5APFEN1
SCHEMBL7170268 0.81 PTGS2 (0.50) RPS6KA3PTGS2SLC22A12ALOX5APFEN1
SCHEMBL7546134 0.81 RPS6KA3 (0.61) RPS6KA3PTGS2SLC22A12PIK3CDPIK3CA

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 TGFBR1 1380/4885RPS6KA3 1119/4885CYP2A6 487/4885

“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.