SCHEMBL6730188

SCHEMBL6730188

O=S(=O)(Cc1ccc(-c2cnccc2-c2cccc(Br)c2)cc1F)Cc1ccc(-c2cnccc2-c2cccc(Br)c2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 13/20 0.44
SLC22A12 Q96S37 1/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
AKR1B1 P15121 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
GCGR P47871 2/20 0.34
MAPK14 Q16539 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 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
SCHEMBL6730633 0.91 RPS6KA3 (0.44) RPS6KA3
SCHEMBL6725468 0.90 RPS6KA3 (0.46) RPS6KA3SLC22A12AKR1B1
SCHEMBL6719208 0.88 SLC22A12 (0.50) RPS6KA3SLC22A12
SCHEMBL6721866 0.88 RPS6KA3 (0.56) RPS6KA3SLC22A12ALOX5APFEN1
SCHEMBL6730679 0.87 RPS6KA3 (0.48) RPS6KA3CYP1A2
SCHEMBL6729132 0.86 RPS6KA3 (0.44) RPS6KA3SLC22A12ALDH1A1KDM4EHPGD
SCHEMBL6725741 0.86 RPS6KA3 (0.61) RPS6KA3SLC22A12ALOX5APFEN1
SCHEMBL6730117 0.86 RPS6KA3 (0.41) RPS6KA3SLC22A12ALOX5APFEN1
SCHEMBL6729769 0.85 RPS6KA3 (0.45) RPS6KA3SLC22A12ALOX5APFEN1
SCHEMBL6719133 0.84 KCNA5 (0.45) RPS6KA3SLC22A12

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 972/4885SLC22A12 4098/4885ALDH1A1 298/4885

“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.