SCHEMBL6735150

SCHEMBL6735150

Cc1csc(-c2ccncc2-c2cc(F)c(S(C)(=O)=O)cc2F)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
GABRA1 P14867 15/20 0.39
GABRG2 P18507 15/20 0.39
GABRB3 P28472 15/20 0.39
GABRA3 P34903 15/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
GABRA2 P47869 4/20 0.38
GABRA5 P31644 3/20 0.38
GABRA4 P48169 1/20 0.37
GABRA6 Q16445 1/20 0.37
CYP19A1 P11511 1/20 0.35
TGFBR1 P36897 1/20 0.35
TGFBR2 P37173 1/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL7044855 0.85 PTGS2 (0.42) PTGS2GABRA1GABRG2GABRB3GABRA3
SCHEMBL6735782 0.83 PTGS2 (0.40) PTGS2CYP19A1GAA
SCHEMBL6728005 0.80 CYP2E1 (0.43) PTGS2GABRA1GABRG2GABRB3GABRA3
SCHEMBL6735985 0.79 CYP2A6 (0.41) PTGS2CYP2A6TGFBR1TGFBR2
SCHEMBL6734300 0.78 RPS6KA3 (0.53) PTGS2
SCHEMBL6735761 0.78 PTGS2 (0.46) PTGS2
SCHEMBL6741149 0.77 PTGS2 (0.43) PTGS2
SCHEMBL6729767 0.77 PTGS2 (0.44) PTGS2
SCHEMBL6739704 0.77 RPS6KA3 (0.50) PTGS2
SCHEMBL6732701 0.77 PTGS2 (0.50) PTGS2CYP3A4

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 PTGS2 10/4885GABRA1 1500/4885GABRG2 2161/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885GABRA1 1500/4885GABRG2 2161/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885GABRA1 1500/4885GABRG2 2161/4885

“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.