SCHEMBL6730197

SCHEMBL6730197

Cc1ccc(-c2ccncc2-c2ccc(CS(=O)(=O)Cc3ccc(-c4cnccc4-c4ccc(C)c(Br)c4)cc3F)c(F)c2)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 12/20 0.43
PTGS2 P35354 3/20 0.40
PTGS1 P23219 2/20 0.36
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
BLM P54132 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RPS6KA2 Q15349 1/20 0.34
RPS6KA1 Q15418 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CYP17A1 P05093 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL6728858 0.91 RPS6KA3 (0.43) RPS6KA3PTGS2PTGS1TP53CYP3A4
SCHEMBL6725948 0.91 RPS6KA3 (0.46) RPS6KA3PTGS2RPS6KA2RPS6KA1ALOX5AP
SCHEMBL6722648 0.90 RPS6KA3 (0.45) RPS6KA3PTGS2PTGS1RPS6KA2RPS6KA1
SCHEMBL6730117 0.90 RPS6KA3 (0.41) RPS6KA3PTGS2TP53CYP3A4MAPT
SCHEMBL6725964 0.87 RPS6KA3 (0.45) RPS6KA3PTGS2PTGS1RPS6KA2RPS6KA1
SCHEMBL6725468 0.87 RPS6KA3 (0.46) RPS6KA3PTGS2TP53CYP3A4MAPT
SCHEMBL6718429 0.86 PTGS2 (0.44) RPS6KA3PTGS2PTGS1RPS6KA2RPS6KA1
SCHEMBL6723317 0.86 RPS6KA3 (0.59) RPS6KA3PTGS2PTGS1RPS6KA2RPS6KA1
SCHEMBL6729507 0.85 RPS6KA3 (0.51) RPS6KA3PTGS2RPS6KA2RPS6KA1ALOX5AP
SCHEMBL6730633 0.85 RPS6KA3 (0.44) RPS6KA3PTGS2TP53CYP3A4MAPT

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 1 patent. 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

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-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 RPS6KA3 972/4885PTGS2 5/4885PTGS1 4/4885

“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.