SCHEMBL6737154

SCHEMBL6737154

CS(=O)(=O)c1c(F)cc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OC(F)(F)F)cc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
PTGS2 P35354 7/20 0.38
KIF11 P52732 1/20 0.38
PTGS1 P23219 4/20 0.37
CNR1 P21554 1/20 0.37
BRAF P15056 1/20 0.36
TEK Q02763 1/20 0.35
SCN1A P35498 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX5 P09917 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 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
SCHEMBL6729657 0.89 MAPK14 (0.41) ESR1ESR2PTGS1KCNH2SCN10A
SCHEMBL6721645 0.88 ESR1 (0.40) ESR1ESR2PTGS2KIF11PTGS1
SCHEMBL6728463 0.88 PTGS2 (0.49) ESR1ESR2PTGS2PTGS1BRAF
SCHEMBL6739212 0.86 ESR1 (0.44) ESR1ESR2PTGS2KIF11PTGS1
SCHEMBL6729765 0.86 ESR1 (0.44) ESR1ESR2PTGS2KIF11PTGS1
SCHEMBL6736195 0.86 ESR1 (0.44) ESR1ESR2PTGS2KIF11PTGS1
SCHEMBL6734897 0.85 SCN5A (0.36) ESR1ESR2PTGS2PTGS1SCN5A
SCHEMBL6736679 0.85 ESR1 (0.36) ESR1ESR2PTGS2PTGS1BRAF
SCHEMBL6735038 0.85 PTGS1 (0.47) ESR1ESR2PTGS2PTGS1BRAF
SCHEMBL6729665 0.85 ESR1 (0.42) ESR1ESR2PTGS2KIF11PTGS1

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 ESR1 1259/4885ESR2 201/4885PTGS2 10/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 ESR1 1259/4885ESR2 201/4885PTGS2 10/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 ESR1 1259/4885ESR2 201/4885PTGS2 10/4885

“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.