SCHEMBL6733012

SCHEMBL6733012

CS(=O)(=O)c1c(F)cc(C2=C(c3cc(F)cc(F)c3)C(=O)OC2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 12/20 0.57
PTGS2 P35354 11/20 0.57
ABCB11 O95342 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MT-CO2 P00403 1/20 0.47
HTR1A P08908 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
MC4R P32245 1/20 0.47

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
SCHEMBL6732279 0.90 PTGS1 (0.71) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6729587 0.89 PTGS1 (0.69) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6733173 0.88 PTGS2 (0.56) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6734911 0.88 PTGS2 (0.62) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6739606 0.87 PTGS2 (0.58) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6733737 0.87 PTGS2 (0.62) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6736183 0.87 PTGS2 (0.55) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6741328 0.86 PTGS1 (0.54) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6731769 0.86 PTGS2 (0.76) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6731461 0.85 PTGS2 (0.60) PTGS1PTGS2ABCB11ALDH1A1MT-CO2

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 PTGS1 4/4885PTGS2 10/4885ABCB11 2303/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS1 4/4885PTGS2 10/4885ABCB11 2303/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS1 4/4885PTGS2 10/4885ABCB11 2303/4885

“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.