Sugi Predict

Sugi Predict / Compounds / SCHEMBL6733556

SCHEMBL6733556

SCHEMBL6733556

CS(=O)(=O)c1c(F)cc(C2=C(c3cccc(C#N)c3)C=CC2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 2/20 0.37
▸ ARNT P27540 1/20 0.37
▸ ACLY P53396 1/20 0.35
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ GABRA3 P34903 2/20 0.34
▸ PGR P06401 2/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ PIN1 Q13526 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ SLC6A9 P48067 1/20 0.32
▸ BACE1 P56817 2/20 0.32
▸ ADAMTS4 O75173 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ PTGS2 P35354 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
SCHEMBL6735715 0.87 PTGS2 (0.41) EPAS1ACLYPGRPTGS2
SCHEMBL6729325 0.84 PTGS2 (0.43) PTGS2
SCHEMBL6732660 0.83 PDE3B (0.36) PTGS2
SCHEMBL6737041 0.83 PTGS2 (0.34) ACLYPTGS2
SCHEMBL6727904 0.82 PTGS2 (0.35) PTGS2
SCHEMBL6777755 0.82 PTGS2 (0.35) MAOBPTGS2
SCHEMBL6740024 0.81 EPAS1 (0.35) EPAS1ARNTACLYGABRG2GABRB3
SCHEMBL6735821 0.81 EPAS1 (0.32) EPAS1PTGS2
SCHEMBL6734716 0.81 EPAS1 (0.34) EPAS1PGRPTGS2
SCHEMBL6788149 0.81 KDM4E (0.39) PGRPIN1PTGS2

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 EPAS1 404/4885ARNT 429/4885ACLY 2379/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 EPAS1 404/4885ARNT 429/4885ACLY 2379/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 EPAS1 404/4885ARNT 429/4885ACLY 2379/4885

“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.