SCHEMBL6734716

SCHEMBL6734716

Cc1cc(C2=C(c3cc(F)c(S(C)(=O)=O)c(F)c3)CC=C2)ccc1C#N

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.34
CYP11B1 P15538 5/20 0.33
CYP11B2 P19099 5/20 0.33
NR3C1 P04150 2/20 0.32
PGR P06401 2/20 0.32
NR3C2 P08235 2/20 0.32
AR P10275 2/20 0.32
PTGS2 P35354 6/20 0.32
PTGS1 P23219 2/20 0.31
EGLN2 Q96KS0 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
SCHEMBL6735821 0.91 EPAS1 (0.32) EPAS1CYP11B1CYP11B2PTGS2PTGS1
SCHEMBL6739666 0.86 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6739567 0.86 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6729559 0.85 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL6735715 0.84 PTGS2 (0.41) EPAS1PGRARPTGS2PTGS1
SCHEMBL6739001 0.83 PTGS2 (0.33) PTGS2PTGS1
SCHEMBL6729128 0.83 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6735615 0.82 PTGS2 (0.45) EPAS1PTGS2PTGS1
SCHEMBL6733202 0.82 PTGS2 (0.34) EPAS1CYP11B1CYP11B2NR3C1PGR
SCHEMBL6733556 0.81 EPAS1 (0.37) EPAS1PGRPTGS2

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 404/4885CYP11B1 583/4885CYP11B2 573/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 EPAS1 404/4885CYP11B1 583/4885CYP11B2 573/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 EPAS1 404/4885CYP11B1 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.