SCHEMBL6721385

SCHEMBL6721385

N#Cc1ccc(C2=C(c3ccc(S(N)(=O)=O)c(F)c3)COC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 9/20 0.51
PTGS2 P35354 8/20 0.51
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
NR3C2 P08235 1/20 0.39
ABCB11 O95342 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MT-CO2 P00403 1/20 0.39
HTR1A P08908 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MC4R P32245 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL6723561 0.90 PTGS2 (0.46) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6721898 0.88 PTGS2 (0.54) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6730152 0.87 PTGS1 (0.52) PTGS1PTGS2CA12CA1CA2
SCHEMBL6725470 0.87 PTGS1 (0.67) PTGS1PTGS2NR3C2ABCB11ALDH1A1
SCHEMBL6729719 0.86 PTGS1 (0.46) PTGS1PTGS2CA12CA1CA2
SCHEMBL6514536 0.85 PTGS1 (0.55) PTGS1PTGS2NR3C2ABCB11ALDH1A1
SCHEMBL6718426 0.84 PTGS2 (0.54) PTGS1PTGS2NR3C2ABCB11ALDH1A1
SCHEMBL6721938 0.84 PTGS2 (0.64) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6718696 0.84 PTGS1 (0.63) PTGS1PTGS2
SCHEMBL6721728 0.84 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-05-13 US disclosed
EP-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 EP disclosed
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 US disclosed
WO-2001081332-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-11-01 WO 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 (2 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-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, FPR1, PTGES2 PTGS1 4/4885PTGS2 5/4885CA12 3799/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS1 4/4885PTGS2 5/4885CA12 3837/4885

“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.