Sugi Predict

Sugi Predict / Compounds / SCHEMBL6737037

SCHEMBL6737037

SCHEMBL6737037

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.36
▸ PTGS2 P35354 9/20 0.36
▸ PTGS1 P23219 6/20 0.36
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPK14 Q16539 4/20 0.34
▸ MAPK11 Q15759 2/20 0.34
▸ MAPK13 O15264 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ MAPK12 P53778 1/20 0.34
▸ SCN9A Q15858 2/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CSNK1A1L Q8N752 1/20 0.33
▸ ABL1 P00519 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
SCHEMBL6732448 0.91 PTGS2 (0.42) CASP1PTGS2PTGS1LMNAMAPK14
SCHEMBL6734141 0.91 PTGS2 (0.42) CASP1PTGS2PTGS1LMNAMAPK14
SCHEMBL6734331 0.89 PTGS2 (0.47) CASP1PTGS2PTGS1MAPK14MAPK11
SCHEMBL6735628 0.89 PTGS2 (0.38) CASP1PTGS2PTGS1SCN9A
SCHEMBL6736588 0.89 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6731818 0.89 PTGS2 (0.38) CASP1PTGS2PTGS1LMNAMAPK14
SCHEMBL6723351 0.88 LMNA (0.42) PTGS2PTGS1LMNANPSR1MAPK14
SCHEMBL6729768 0.86 PTGS2 (0.37) CASP1PTGS2PTGS1LMNAMAPK14
SCHEMBL6737269 0.86 PTGS2 (0.49) PTGS2PTGS1MAPK14MAPK11MAPK13
SCHEMBL6734220 0.86 CASP1 (0.39) CASP1PTGS2PTGS1MAPK14MAPK11

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 CASP1 29/4885PTGS2 10/4885PTGS1 4/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 CASP1 29/4885PTGS2 10/4885PTGS1 4/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 CASP1 29/4885PTGS2 10/4885PTGS1 4/4885

“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.