SCHEMBL6733970

SCHEMBL6733970

Cc1onc(-c2cc(F)ccc2F)c1-c1cc(F)c(S(C)(=O)=O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.46
ALDH1A1 P00352 1/20 0.40
GABRA5 P31644 1/20 0.37
PTGS1 P23219 1/20 0.37
BRD4 O60885 1/20 0.36
SLC9A1 P19634 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CCR2 P41597 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.34
NSD3 Q9BZ95 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
SCHEMBL6733120 0.86 PTGS2 (0.63) PTGS2ALDH1A1PTGS1BRD4PAX8
SCHEMBL6739439 0.86 PTGS2 (0.34) PTGS2ALDH1A1GABRA5SLC9A1CCR2
SCHEMBL6732402 0.83 PTGS2 (0.47) PTGS2ALDH1A1GABRA5PTGS1BRD4
SCHEMBL6734632 0.83 PTGS2 (0.49) PTGS2PTGS1BRD4PAX8
SCHEMBL6730005 0.82 PTGS2 (0.48) PTGS2PTGS1BRD4PAX8
SCHEMBL6735341 0.82 PTGS2 (0.40) PTGS2ALDH1A1PTGS1BRD4
SCHEMBL6736961 0.82 PTGS2 (0.51) PTGS2ALDH1A1PTGS1BRD4NPSR1
SCHEMBL6735895 0.81 PTGS2 (0.52) PTGS2ALDH1A1PTGS1NPSR1
SCHEMBL6735990 0.81 PTGS2 (0.44) PTGS2ALDH1A1PTGS1NPSR1RAB9A
SCHEMBL6732168 0.81 PTGS2 (0.53) PTGS2ALDH1A1PTGS1NPSR1PAX8

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 11 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 claimed
US-6673818-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS ARTHRITIS, PAIN, FEVER AND CANCER PHARMACIA CORPORATION 2004-01-06 US claimed
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-08-07 US claimed
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-02-13 US claimed
EP-1251126-A2 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation Pharmacia Corporation (US) 2002-10-23 EP 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 10/4885ALDH1A1 434/4885GABRA5 2663/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885ALDH1A1 434/4885GABRA5 2663/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885ALDH1A1 434/4885GABRA5 2663/4885

“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.