SCHEMBL6739283

SCHEMBL6739283

Cc1cccc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)CCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGER1 P34995 1/20 0.36
THRB P10828 3/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
PTGS2 P35354 8/20 0.35
CCR1 P32246 1/20 0.34
CCR8 P51685 1/20 0.34
PTGS1 P23219 4/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL6728874 0.84 PTGS2 (0.47) TGFBR1THRBPTGS2PTGS1
SCHEMBL6740123 0.80 PTGS2 (0.37) TGFBR1ALOX5APFEN1PTGS2CCR1
SCHEMBL6737431 0.80 ALOX5AP (0.39) ALOX5APFEN1PTGS2PTGS1CA1
SCHEMBL6739511 0.79 PTGES2 (0.37) ALOX5APFEN1PTGS2
SCHEMBL6736669 0.79 PTGS2 (0.43) PTGER1PTGS2PTGS1CA1CA2
SCHEMBL6731825 0.79 PTGS2 (0.46) TGFBR1THRBPTGS2CCR1CCR8
SCHEMBL6734029 0.77 PTGS2 (0.34) PTGS2PTGS1
SCHEMBL6734747 0.77 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6739151 0.76 PTGS2 (0.48) PTGER1ALOX5APFEN1PTGS2PTGS1
SCHEMBL6746699 0.76 TGFBR1 (0.43) TGFBR1ALOX5APFEN1PTGS2CA1

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 6 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-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 TGFBR1 1183/4885CYP3A4 1338/4885CYP2C9 2269/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 TGFBR1 1183/4885CYP3A4 1338/4885CYP2C9 2269/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 TGFBR1 1183/4885CYP3A4 1338/4885CYP2C9 2269/4885

“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.