SCHEMBL6837644

SCHEMBL6837644

NS(=O)(=O)c1cc(F)cc(-c2ncccc2-c2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 3/20 0.44
ABL1 P00519 2/20 0.41
BCR P11274 1/20 0.41
KCNA5 P22460 1/20 0.40
KCNH2 Q12809 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
DHODH Q02127 1/20 0.39
CTSA P10619 1/20 0.38
DYRK1A Q13627 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
PTGS2 P35354 1/20 0.38
NPY5R Q15761 1/20 0.38
GRM5 P41594 1/20 0.37
CTSD P07339 2/20 0.37
BACE1 P56817 2/20 0.37
BACE2 Q9Y5Z0 2/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL6834690 0.89 PTGS2 (0.45) ABL1BCRCA1CA2PTGS2
SCHEMBL6834947 0.85 CHRNA7 (0.43) PTGES2PIM1CA1CA2PTGS2
SCHEMBL6749869 0.85 DHODH (0.42) PTGES2KCNA5KCNH2SLC40A1PIM1
SCHEMBL6835049 0.84 LMNA (0.42) PTGES2KCNA5KCNH2CA1CA2
SCHEMBL6839195 0.83 CA1 (0.43) PTGES2ABL1BCRKCNA5KCNH2
SCHEMBL6839124 0.83 PTGS2 (0.36) PTGES2ABL1BCRCA1CA2
SCHEMBL6838659 0.83 PTGS2 (0.42) CA1CA2PTGS2
SCHEMBL6835856 0.82 PTGS2 (0.52) PTGES2CA1CA2PTGS2
SCHEMBL6841538 0.82 CA1 (0.45) ABL1CA1CA2PTGS2
SCHEMBL6837963 0.81 CA1 (0.41) PTGES2CA1CA2PTGS2

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 PTGES2 8/4885ABL1 752/4885BCR 315/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGES2 8/4885ABL1 752/4885BCR 315/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGES2 8/4885ABL1 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.