SCHEMBL6729883

SCHEMBL6729883

Cc1onc(-c2ccc(Br)c(Br)c2)c1-c1ccc(S(C)(=O)=O)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.50
PAX8 Q06710 1/20 0.43
MT-CO2 P00403 3/20 0.42
PTGS1 P23219 3/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
CA3 P07451 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
ADRA2B P18089 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL6721685 0.92 PTGS2 (0.49) PTGS2PAX8MT-CO2PTGS1CA12
SCHEMBL6511446 0.92 PTGS2 (0.49) PTGS2PAX8MT-CO2PTGS1CA12
SCHEMBL6721367 0.91 PTGS2 (0.52) PTGS2PAX8MT-CO2PTGS1CA12
SCHEMBL6516199 0.89 PTGS2 (0.56) PTGS2PAX8MT-CO2PTGS1CA12
SCHEMBL6825520 0.88 PTGS2 (0.54) PTGS2PAX8MT-CO2PTGS1CA12
SCHEMBL7537357 0.88 PTGS2 (0.49) PTGS2PAX8MT-CO2PTGS1CA12
SCHEMBL6729059 0.87 PTGS2 (0.46) PTGS2PAX8MT-CO2PTGS1CA12
SCHEMBL6729756 0.87 PTGS2 (0.51) PTGS2PAX8MT-CO2PTGS1CA12
SCHEMBL6733223 0.87 PTGS2 (0.51) PTGS2PAX8MT-CO2PTGS1CA12
SCHEMBL6725616 0.87 PTGS2 (0.53) PTGS2PAX8MT-CO2PTGS1CA12

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 PTGS2 5/4885PAX8 3383/4885MT-CO2 3544/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PAX8 3355/4885MT-CO2 3381/4885

“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.