Sugi Predict

Sugi Predict / Compounds / SCHEMBL6733877

SCHEMBL6733877

SCHEMBL6733877

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ PTGS2 P35354 5/20 0.36
▸ PTGS1 P23219 4/20 0.36
▸ KIF11 P52732 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ TGFBR1 P36897 2/20 0.34
▸ MAPK14 Q16539 4/20 0.33
▸ ALOX5 P09917 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CSNK1A1L Q8N752 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ HPGD P15428 1/20 0.32
▸ GSK3B P49841 1/20 0.32

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
SCHEMBL6737046 0.91 ESR1 (0.38) ESR1ESR2PTGS2PTGS1KIF11
SCHEMBL6733739 0.91 ESR1 (0.38) ESR1ESR2PTGS2PTGS1KIF11
SCHEMBL6739212 0.90 ESR1 (0.44) ESR1ESR2PTGS2PTGS1KIF11
SCHEMBL6729665 0.89 ESR1 (0.42) ESR1ESR2PTGS2PTGS1KIF11
SCHEMBL6725552 0.88 ESR1 (0.39) ESR1ESR2PTGS2PTGS1KIF11
SCHEMBL6734458 0.86 ESR1 (0.37) ESR1ESR2PTGS2PTGS1KIF11
SCHEMBL6728463 0.86 PTGS2 (0.49) ESR1ESR2PTGS2PTGS1BRAF
SCHEMBL6738824 0.86 ESR1 (0.41) ESR1ESR2PTGS2PTGS1CASP1
SCHEMBL6737489 0.85 PTGS2 (0.43) ESR1ESR2PTGS2PTGS1KIF11
SCHEMBL6739064 0.85 ESR1 (0.40) ESR1ESR2PTGS2PTGS1KIF11

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.