SCHEMBL6729491

SCHEMBL6729491

Cc1cccc(C2=C(c3cc(F)c(S(C)(=O)=O)cc3F)CC=C2)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.35
NR1H3 Q13133 4/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PTGS2 P35354 3/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
ACLY P53396 1/20 0.33
SDHB P21912 1/20 0.33
LOX P28300 1/20 0.33
PTGS1 P23219 2/20 0.31
KAT6A Q92794 1/20 0.31

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
SCHEMBL6734903 0.89 PTGS2 (0.40) NR1H2NR1H3PDE3BPDE3APTGS2
SCHEMBL6729586 0.88 PTGS2 (0.34) PTGS2
SCHEMBL6733002 0.88 ACLY (0.41) NR1H2NR1H3PTGS2ACLYPTGS1
SCHEMBL6739952 0.87 RAB9A (0.38) NR1H2NR1H3PTGS2ACLYPTGS1
SCHEMBL6731867 0.87 NR1H2 (0.34) NR1H2NR1H3PTGS2ACLYPTGS1
SCHEMBL6732652 0.87 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6736835 0.85 NR1H2 (0.39) NR1H2NR1H3PTGS2AKR1C3AKR1C2
SCHEMBL6737139 0.85 PTGS2 (0.38) PDE3BPDE3APTGS2AKR1C3AKR1C2
SCHEMBL6735812 0.85 PTGS2 (0.46) PDE3BPDE3APTGS2PTGS1
SCHEMBL6733271 0.85 PTGS2 (0.46) NR1H2NR1H3PTGS2PTGS1

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 5 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 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 299/4885PDE3B 2821/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 NR1H2 173/4885NR1H3 299/4885PDE3B 2821/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 NR1H2 173/4885NR1H3 299/4885PDE3B 2821/4885

“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.