SCHEMBL6735883

SCHEMBL6735883

Cc1onc(-c2cccc(C(F)(F)F)c2)c1-c1cc(F)c(S(C)(=O)=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.43
NR1H2 P55055 3/20 0.43
NR1H3 Q13133 3/20 0.43
POLB P06746 2/20 0.43
BRD4 O60885 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPAS1 Q99814 1/20 0.42
PTGS2 P35354 4/20 0.41
KDM4E B2RXH2 1/20 0.40
PTGS1 P23219 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6737287 0.91 MAPT (0.44) MAPTNPSR1GAAMCOLN3GPBAR1
SCHEMBL6728418 0.88 PTGS2 (0.49) MAPTNPSR1GAAMCOLN3GPBAR1
SCHEMBL6737039 0.88 MEN1 (0.39) MAPTNPSR1GAAMCOLN3GPBAR1
SCHEMBL6722905 0.87 PTGS2 (0.46) MAPTNPSR1GAAMCOLN3GPBAR1
SCHEMBL6729432 0.87 S1PR1 (0.39) MAPTNPSR1GAAMCOLN3GPBAR1
SCHEMBL6732402 0.87 PTGS2 (0.47) GPBAR1NR1H2NR1H3BRD4PTGS2
SCHEMBL6735428 0.87 PTGS2 (0.44) MAPTNPSR1GAAMCOLN3GPBAR1
SCHEMBL6735895 0.85 PTGS2 (0.52) MAPTNPSR1GAAMCOLN3KMT2A
SCHEMBL6733247 0.85 PTGS2 (0.43) NR1H2NR1H3PTGS2PTGS1
SCHEMBL6729969 0.85 PTGS2 (0.57) MAPTNPSR1GAAMCOLN3GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138261-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-07-15 US claimed
US-6673818-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS ARTHRITIS, PAIN, FEVER AND CANCER PHARMACIA CORPORATION 2004-01-06 US claimed
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-08-07 US claimed
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-02-13 US claimed
EP-1251126-A2 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation Pharmacia Corporation (US) 2002-10-23 EP 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 MAPT 4545/4885NPSR1 533/4885GAA 3592/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 MAPT 4545/4885NPSR1 533/4885GAA 3592/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 MAPT 4545/4885NPSR1 533/4885GAA 3592/4885

“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.