SCHEMBL6732664

SCHEMBL6732664

Cc1ccc(-c2[nH]c(C(F)(F)F)nc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.38
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
SDHB P21912 2/20 0.34
CASP1 P29466 1/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
TGFBR1 P36897 1/20 0.33
PTGS2 P35354 3/20 0.33
KIF11 P52732 1/20 0.32

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
SCHEMBL6729765 0.87 ESR1 (0.44) MAPK14ESR1ESR2SDHBTGFBR1
SCHEMBL6735304 0.86 ESR1 (0.41) MAPK14ESR1ESR2SDHBCASP1
SCHEMBL6732788 0.85 ESR1 (0.38) MAPK14ESR1ESR2SDHBCASP1
SCHEMBL6740094 0.84 SDHB (0.44) MAPK14ESR1ESR2SDHBPTGS2
SCHEMBL6733661 0.83 PTGS2 (0.40) MAPK14ESR1ESR2CASP1PDE3B
SCHEMBL6729506 0.82 MAPK14 (0.36) MAPK14SDHBPDE3BPDE3AALOX5AP
SCHEMBL6728463 0.81 PTGS2 (0.49) MAPK14ESR1ESR2PTGS2
SCHEMBL6736231 0.81 ESR1 (0.54) MAPK14ESR1ESR2SDHBPTGS2
SCHEMBL6729665 0.81 ESR1 (0.42) MAPK14ESR1ESR2CASP1TGFBR1
SCHEMBL6729275 0.81 ESR1 (0.39) MAPK14ESR1ESR2CASP1TGFBR1

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 MAPK14 2311/4885ESR1 1259/4885ESR2 201/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 MAPK14 2311/4885ESR1 1259/4885ESR2 201/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 MAPK14 2311/4885ESR1 1259/4885ESR2 201/4885

“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.