SCHEMBL6728016

SCHEMBL6728016

N#Cc1cccc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)CCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.44
PTGES2 Q9H7Z7 3/20 0.42
PTGS2 P35354 7/20 0.41
PTGS1 P23219 5/20 0.41
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
ADRA2C P18825 1/20 0.36
PIK3CA P42336 1/20 0.35
ACLY P53396 1/20 0.35

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
SCHEMBL6740558 0.87 PTGS2 (0.50) PTGER1PTGES2PTGS2PTGS1
SCHEMBL6730184 0.87 PTGS2 (0.49) PTGER1PTGES2PTGS2PTGS1GABRG2
SCHEMBL6735951 0.84 PTGS2 (0.45) PTGER1PTGES2PTGS2PTGS1
SCHEMBL6739151 0.83 PTGS2 (0.48) PTGER1PTGES2PTGS2PTGS1
SCHEMBL6736669 0.82 PTGS2 (0.43) PTGER1PTGES2PTGS2PTGS1
SCHEMBL6731459 0.82 PTGS2 (0.43) PTGER1PTGES2PTGS2PTGS1
SCHEMBL6735460 0.82 PTGS2 (0.49) PTGER1PTGS2PTGS1
SCHEMBL6733572 0.81 PRF1 (0.40) PTGES2PTGS2PTGS1GABRG2GABRB3
SCHEMBL6728824 0.81 PTGS2 (0.47) PTGER1PTGES2PTGS2PTGS1GABRG2
SCHEMBL6743791 0.81 PTGS2 (0.46) PTGES2PTGS2PTGS1

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 PTGER1 18/4885PTGES2 8/4885PTGS2 10/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGER1 18/4885PTGES2 8/4885PTGS2 10/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGER1 18/4885PTGES2 8/4885PTGS2 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.