SCHEMBL6834690

SCHEMBL6834690

NS(=O)(=O)c1cc(F)cc(-c2ncccc2-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.45
ABL1 P00519 4/20 0.42
BCR P11274 2/20 0.42
PTGS1 P23219 3/20 0.41
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
TRPV1 Q8NER1 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
MALT1 Q9UDY8 2/20 0.38
CCR9 P51686 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CTSD P07339 2/20 0.36
BACE1 P56817 2/20 0.36
BACE2 Q9Y5Z0 2/20 0.36

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
SCHEMBL6837644 0.89 PTGES2 (0.44) PTGS2ABL1BCRCA1CA2
SCHEMBL6837797 0.86 PTGS2 (0.52) PTGS2PTGS1CA1CA2CA12
SCHEMBL6837026 0.85 KIF11 (0.46) PTGS2PTGS1CA1CA2CA12
SCHEMBL6839124 0.85 PTGS2 (0.36) PTGS2ABL1BCRPTGS1CA1
SCHEMBL6838659 0.85 PTGS2 (0.42) PTGS2PTGS1CA1CA2CA12
SCHEMBL6746673 0.84 PTGS2 (0.42) PTGS2ABL1BCRPTGS1CA1
SCHEMBL6835856 0.84 PTGS2 (0.52) PTGS2PTGS1CA1CA2CA12
SCHEMBL6841538 0.84 CA1 (0.45) PTGS2ABL1PTGS1CA1CA2
SCHEMBL6837521 0.83 PTGS2 (0.43) PTGS2PTGS1CA1CA2CA12
SCHEMBL6833679 0.83 PTGS2 (0.49) PTGS2PTGS1CA1CA2CA12

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 10/4885ABL1 752/4885BCR 315/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885ABL1 752/4885BCR 315/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885ABL1 752/4885BCR 315/4885

“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.