SCHEMBL6734050

SCHEMBL6734050

COc1cc(-c2[nH]c(C(F)(F)F)nc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.44
PTGS1 P23219 3/20 0.39
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BRAF P15056 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TEK Q02763 1/20 0.35
CASP1 P29466 1/20 0.35
SCN9A Q15858 3/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL6736178 0.92 PTGS2 (0.45) PTGS2PTGS1LMNATP53HPGD
SCHEMBL6720129 0.89 PTGS2 (0.43) PTGS2PTGS1LMNATP53HPGD
SCHEMBL6735517 0.89 ESR1 (0.39) PTGS2PTGS1LMNANPSR1BRAF
SCHEMBL7090217 0.87 PTGS2 (0.56) PTGS2PTGS1LMNATP53HPGD
SCHEMBL6734278 0.87 PTGS2 (0.42) PTGS2PTGS1BRAFESR1ESR2
SCHEMBL6734647 0.85 PTGS2 (0.42) PTGS2PTGS1BRAFESR1ESR2
SCHEMBL6735038 0.84 PTGS1 (0.47) PTGS2PTGS1SMN1; SMN2BRAFESR1
SCHEMBL6735628 0.84 PTGS2 (0.38) PTGS2PTGS1TEKCASP1SCN9A
SCHEMBL6729665 0.84 ESR1 (0.42) PTGS2PTGS1HPGDSMN1; SMN2BRAF
SCHEMBL6733928 0.83 PTGS2 (0.42) PTGS2PTGS1LMNATP53HPGD

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 10/4885PTGS1 4/4885LMNA 2247/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885LMNA 2247/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885LMNA 2247/4885

“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.