SCHEMBL6732445

SCHEMBL6732445

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
CXCR2 P25025 1/20 0.33
PTGS2 P35354 4/20 0.33
PTGS1 P23219 2/20 0.33
TGFBR1 P36897 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK14 Q16539 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
SCHEMBL6738801 0.92 CYP11B1 (0.33) TYK2CYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL6730020 0.89 TYK2 (0.36) TYK2CYP11B1CYP11B2CXCR2CYP3A4
SCHEMBL6729768 0.88 PTGS2 (0.37) TYK2ALDH1A1LMNAPTGS2PTGS1
SCHEMBL6733274 0.87 PTGS2 (0.39) TYK2ALDH1A1LMNAPTGS2PTGS1
SCHEMBL6729133 0.85 MAPK14 (0.40) TYK2ALDH1A1PTGS2PTGS1CYP3A4
SCHEMBL6739524 0.85 MAPK14 (0.40) TYK2ALDH1A1LMNAPTGS2PTGS1
SCHEMBL6732448 0.85 PTGS2 (0.42) TYK2ALDH1A1LMNAPTGS2PTGS1
SCHEMBL6732575 0.85 PTGS1 (0.34) TYK2ALDH1A1LMNAPTGS2PTGS1
SCHEMBL6729417 0.84 ESR1 (0.36) CYP11B1CYP11B2CXCR2PTGS2PTGS1
SCHEMBL6731818 0.84 PTGS2 (0.38) ALDH1A1LMNAPTGS2PTGS1KDM4E

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 552/4885CYP11B1 583/4885CYP11B2 573/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 TYK2 552/4885CYP11B1 583/4885CYP11B2 573/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 TYK2 552/4885CYP11B1 583/4885CYP11B2 573/4885

“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.