SCHEMBL6731311

SCHEMBL6731311

Cc1ncccc1C1=C(c2cc(F)c(S(C)(=O)=O)cc2F)COC1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.42
PTGS1 P23219 7/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ABCB11 O95342 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MT-CO2 P00403 1/20 0.36
HTR1A P08908 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MC4R P32245 1/20 0.36
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34

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
SCHEMBL6734835 0.90 PDE3B (0.41) PTGS2PTGS1PDE3BPDE3AALOX5AP
SCHEMBL6746108 0.85 PDE3B (0.41) PTGS2PTGS1PDE3BPDE3AALOX5AP
SCHEMBL6726155 0.85 PTGS2 (0.52) PTGS2PTGS1PDE3BPDE3AABCB11
SCHEMBL6739483 0.83 PDE3B (0.44) PTGS2PTGS1PDE3BPDE3AABCB11
SCHEMBL6741086 0.82 PTGS2 (0.47) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6732141 0.82 PTGS2 (0.57) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6732420 0.82 PTGS2 (0.54) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6739570 0.81 PTGS2 (0.55) PTGS2PTGS1PDE3BPDE3AABCB11
SCHEMBL6734718 0.81 PTGS2 (0.50) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6732461 0.81 PTGS2 (0.61) PTGS2PTGS1ABCB11ALDH1A1MT-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 PTGS2 10/4885PTGS1 4/4885PDE3B 2821/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885PDE3B 2821/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885PDE3B 2821/4885

“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.