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Sugi Predict / Compounds / SCHEMBL6736835

SCHEMBL6736835

SCHEMBL6736835

CS(=O)(=O)c1cc(F)c(C2=C(c3cccc(C(F)(F)F)c3)C=CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.39
▸ NR1H3 Q13133 3/20 0.39
▸ AKR1C3 P42330 2/20 0.37
▸ AKR1C2 P52895 2/20 0.37
▸ ALOX5AP P20292 2/20 0.37
▸ FEN1 P39748 2/20 0.37
▸ PTGS2 P35354 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ CACNA1B Q00975 5/20 0.34
▸ NR1I2 O75469 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ DDR1 Q08345 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6735611 0.88 ALOX5AP (0.41) NR1H2NR1H3AKR1C3AKR1C2ALOX5AP
SCHEMBL6734903 0.86 PTGS2 (0.40) NR1H2NR1H3ALOX5APFEN1PTGS2
SCHEMBL6729491 0.85 NR1H2 (0.35) NR1H2NR1H3AKR1C3AKR1C2PTGS2
SCHEMBL6735425 0.85 NR1H2 (0.36) NR1H2NR1H3CACNA1B
SCHEMBL6733002 0.85 ACLY (0.41) NR1H2NR1H3ALOX5APFEN1PTGS2
SCHEMBL6739952 0.84 RAB9A (0.38) NR1H2NR1H3PTGS2KMT2A
SCHEMBL6731867 0.84 NR1H2 (0.34) NR1H2NR1H3PTGS2
SCHEMBL6840007 0.82 NR1H2 (0.39) NR1H2NR1H3ALOX5APFEN1PTGS2
SCHEMBL6728360 0.82 NR1H2 (0.39) NR1H2NR1H3ALOX5APFEN1PTGS2
SCHEMBL6740024 0.82 EPAS1 (0.35) NR1H2NR1H3

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 NR1H2 173/4885NR1H3 299/4885AKR1C3 944/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 NR1H2 173/4885NR1H3 299/4885AKR1C3 944/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 NR1H2 173/4885NR1H3 299/4885AKR1C3 944/4885

“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.