SCHEMBL6736089

SCHEMBL6736089

Cc1ccc(-c2[nH]c(C(F)F)nc2-c2cc(F)c(S(C)(=O)=O)cc2F)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 13/20 0.35
TBK1 Q9UHD2 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PTGS2 P35354 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL6728480 0.93 TYK2 (0.33) TYK2PTGS2ALDH1A1LMNA
SCHEMBL6730020 0.89 TYK2 (0.36) TYK2TBK1PIK3CDPIK3CAPIK3CB
SCHEMBL6735745 0.88 PTGS2 (0.42) TYK2PTGS2ALDH1A1LMNAALOX5AP
SCHEMBL6740179 0.88 PTGS2 (0.34) TYK2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6734128 0.86 IDO1 (0.37) TYK2PTGS2
SCHEMBL6729810 0.86 PTGS2 (0.42) TYK2PTGS2ALDH1A1LMNA
SCHEMBL6738743 0.85 PTGS2 (0.33) TYK2PTGS2ALDH1A1LMNA
SCHEMBL6734473 0.85 PTGS2 (0.45) TYK2PTGS2
SCHEMBL6732665 0.85 FASN (0.34) TBK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6736960 0.85 TYK2 (0.38) TYK2PIK3CA

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 TYK2 552/4885TBK1 1569/4885PIK3CD 4706/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 TYK2 552/4885TBK1 1569/4885PIK3CD 4706/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 TYK2 552/4885TBK1 1569/4885PIK3CD 4706/4885

“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.