SCHEMBL6736152

SCHEMBL6736152

Cc1ccc(-c2ccncc2-c2cc(F)c(S(C)(=O)=O)cc2F)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.46
NR1H3 Q13133 5/20 0.46
PTGS2 P35354 2/20 0.46
S1PR1 P21453 3/20 0.45
CYP17A1 P05093 1/20 0.43
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
SLC22A12 Q96S37 1/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
GPBAR1 Q8TDU6 2/20 0.37
S1PR3 Q99500 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL6739459 0.91 NR1H2 (0.46) NR1H2NR1H3PTGS2S1PR1CYP17A1
SCHEMBL7106731 0.89 S1PR1 (0.47) NR1H2NR1H3PTGS2S1PR1CYP17A1
SCHEMBL6733477 0.88 PTGS2 (0.50) NR1H2NR1H3PTGS2CYP17A1ALOX5AP
SCHEMBL6729069 0.88 PTGS2 (0.50) NR1H2NR1H3PTGS2CYP17A1ALOX5AP
SCHEMBL6739028 0.85 PTGS2 (0.50) NR1H2NR1H3PTGS2CYP17A1SLC22A12
SCHEMBL6734486 0.84 PTGS2 (0.53) PTGS2CYP17A1SCN9A
SCHEMBL6732444 0.84 PTGS2 (0.47) NR1H2NR1H3PTGS2CYP17A1ALOX5AP
SCHEMBL6733042 0.84 PTGS2 (0.43) NR1H2NR1H3PTGS2CYP17A1ALOX5AP
SCHEMBL6736294 0.84 SLC22A12 (0.53) NR1H2NR1H3PTGS2ALOX5APFEN1
SCHEMBL6730142 0.83 PTGS2 (0.49) NR1H2NR1H3PTGS2ALOX5APFEN1

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 NR1H2 173/4885NR1H3 299/4885PTGS2 10/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 NR1H2 173/4885NR1H3 299/4885PTGS2 10/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 NR1H2 173/4885NR1H3 299/4885PTGS2 10/4885

“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.