SCHEMBL6733875

SCHEMBL6733875

CS(=O)(=O)c1c(F)cc(-c2nc(C(F)F)[nH]c2-c2cccc(Cl)c2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
TGFBR1 P36897 2/20 0.38
TGFBR2 P37173 2/20 0.38
SCD O00767 1/20 0.38
ATM Q13315 1/20 0.37
MAPK14 Q16539 2/20 0.37
MAPK13 O15264 1/20 0.37
RAF1 P04049 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TYK2 P29597 2/20 0.36
PTGS2 P35354 2/20 0.36
ALOX5 P09917 2/20 0.36
CASP1 P29466 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PIN1 Q13526 1/20 0.35

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
SCHEMBL6734220 0.90 CASP1 (0.39) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL6734877 0.89 ALOX5 (0.39) SCDMAPK14MAPK13RAF1MAPK12
SCHEMBL6734767 0.88 MAPK14 (0.43) MAPK14ALDH1A1HPGDALOX5KDM4E
SCHEMBL6734331 0.88 PTGS2 (0.47) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6740226 0.88 HPGD (0.49) MAPK14ALDH1A1HPGDPTGS2ALOX5
SCHEMBL6731818 0.88 PTGS2 (0.38) MAPK14MAPK11ALDH1A1HPGDPTGS2
SCHEMBL6722954 0.87 TGFBR1 (0.41) IDO1TGFBR1TGFBR2SCDATM
SCHEMBL6736661 0.87 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6737037 0.86 CASP1 (0.36) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL6728169 0.85 MAPK14 (0.44) MAPK14MAPK13RAF1MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US claimed
US-20040138261-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-07-15 US disclosed
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US disclosed
US-6673818-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS ARTHRITIS, PAIN, FEVER AND CANCER PHARMACIA CORPORATION 2004-01-06 US disclosed
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-08-07 US disclosed
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-02-13 US disclosed
EP-1251126-A2 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation Pharmacia Corporation (US) 2002-10-23 EP 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 (3 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-20040138261-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 IDO1 183/4885TGFBR1 1183/4885TGFBR2 1334/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 IDO1 183/4885TGFBR1 1183/4885TGFBR2 1334/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 IDO1 183/4885TGFBR1 1183/4885TGFBR2 1334/4885

“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.