SCHEMBL6735812

SCHEMBL6735812

Cc1cc(C2=C(c3cc(F)c(S(C)(=O)=O)cc3F)CC=C2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.46
PTGS1 P23219 5/20 0.40
DAPK3 O43293 1/20 0.34
NTRK1 P04629 1/20 0.34
PIM1 P11309 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
ROCK1 Q13464 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL6733271 0.93 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6737139 0.91 PTGS2 (0.38) PTGS2PTGS1PDE3BPDE3A
SCHEMBL6737306 0.90 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6735110 0.90 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6733694 0.90 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL6732652 0.88 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6728360 0.88 NR1H2 (0.39) PTGS2PTGS1PDE3BPDE3A
SCHEMBL6733883 0.87 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL6741058 0.87 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6733202 0.87 PTGS2 (0.34) PTGS2

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 PTGS2 10/4885PTGS1 4/4885DAPK3 2717/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885DAPK3 2717/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885DAPK3 2717/4885

“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.