SCHEMBL6738801

SCHEMBL6738801

Cc1cc(-c2[nH]c(C(F)F)nc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)ccc1C#N

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
TYK2 P29597 8/20 0.33
CXCR2 P25025 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
S1PR1 P21453 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
SCHEMBL6732445 0.92 TYK2 (0.34) CYP11B1CYP11B2TYK2CXCR2ALDH1A1
SCHEMBL6722668 0.89 PIK3CD (0.34) CYP11B1CYP11B2TYK2CXCR2SCN10A
SCHEMBL6739524 0.87 MAPK14 (0.40) TYK2ALDH1A1LMNAPTGS2PTGS1
SCHEMBL6733274 0.87 PTGS2 (0.39) TYK2ALDH1A1LMNAPTGS2PTGS1
SCHEMBL6729768 0.86 PTGS2 (0.37) TYK2ALDH1A1LMNAPTGS2PTGS1
SCHEMBL6729133 0.85 MAPK14 (0.40) TYK2ALDH1A1PTGS2PTGS1
SCHEMBL6734450 0.85 PTGS1 (0.34) TYK2ALDH1A1LMNAPTGS2PTGS1
SCHEMBL6734141 0.85 PTGS2 (0.42) TYK2ALDH1A1LMNAPTGS2PTGS1
SCHEMBL6728179 0.84 ESR1 (0.36) CYP11B1CYP11B2CXCR2PTGS2PTGS1
SCHEMBL6731818 0.84 PTGS2 (0.38) ALDH1A1LMNAPTGS2PTGS1

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

“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.