Sugi Predict

Sugi Predict / Compounds / SCHEMBL6732432

SCHEMBL6732432

SCHEMBL6732432

CS(=O)(=O)c1cc(F)c(C2=C(c3cccc(C(F)(F)F)c3)C(=O)OC2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 8/20 0.47
▸ PTGS1 P23219 6/20 0.47
▸ NR1H2 P55055 2/20 0.39
▸ NR1H3 Q13133 2/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MT-CO2 P00403 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ MC4R P32245 1/20 0.39
▸ AKR1C3 P42330 2/20 0.37
▸ AKR1C2 P52895 2/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 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
SCHEMBL6731757 0.89 PTGS2 (0.40) PTGS2PTGS1AKR1C3AKR1C2ALOX5AP
SCHEMBL6732844 0.89 PTGS2 (0.47) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6735894 0.86 PTGS2 (0.63) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6723350 0.86 PTGS2 (0.55) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6735512 0.85 PTGS2 (0.50) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6732420 0.85 PTGS2 (0.54) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6783099 0.84 PTGS2 (0.50) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6737361 0.84 PTGS2 (0.49) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6732867 0.84 PTGS2 (0.45) PTGS2PTGS1NR1H2NR1H3ABCB11
SCHEMBL6732570 0.83 PTGS2 (0.47) PTGS2PTGS1NR1H2NR1H3ABCB11

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 PTGS2 10/4885PTGS1 4/4885NR1H2 173/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885NR1H2 173/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885NR1H2 173/4885

“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.