SCHEMBL6730152

SCHEMBL6730152

N#Cc1ccc(C2=C(c3cc(F)c(S(N)(=O)=O)c(F)c3)COC2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 9/20 0.52
PTGS2 P35354 8/20 0.52
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ABCB11 O95342 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MT-CO2 P00403 1/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MC4R P32245 1/20 0.40
KMT2A Q03164 1/20 0.39
CA13 Q8N1Q1 1/20 0.39

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
SCHEMBL6737188 0.88 PTGS2 (0.45) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6736236 0.88 PTGS2 (0.55) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6721385 0.87 PTGS1 (0.51) PTGS1PTGS2CA1CA2CA9
SCHEMBL6739096 0.86 PTGS1 (0.69) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6735833 0.85 PTGS1 (0.56) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6732113 0.84 PTGS2 (0.66) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6735823 0.84 PTGS1 (0.55) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6729467 0.84 PTGS1 (0.64) PTGS1PTGS2
SCHEMBL6728854 0.83 PTGS2 (0.47) PTGS1PTGS2
SCHEMBL6743730 0.83 PTGS2 (0.47) PTGS1PTGS2

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 PTGS1 4/4885PTGS2 10/4885CA1 2085/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS1 4/4885PTGS2 10/4885CA1 2085/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS1 4/4885PTGS2 10/4885CA1 2085/4885

“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.