SCHEMBL6729667

SCHEMBL6729667

Cc1onc(-c2cccc(OC(F)(F)F)c2)c1-c1ccc(S(N)(=O)=O)c(F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.46
PTGS1 P23219 4/20 0.46
MT-CO2 P00403 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.46
CA3 P07451 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
ADRA2B P18089 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
SLC6A2 P23975 1/20 0.46
PDE4A P27815 1/20 0.46
ADORA1 P30542 1/20 0.46
CA5A P35218 1/20 0.46

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
SCHEMBL6721931 0.91 PTGS2 (0.44) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6729303 0.90 PTGS2 (0.51) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6721357 0.88 PTGS2 (0.43) PTGS2PTGS1PTGES2DHODHTRPV1
SCHEMBL6729920 0.88 PTGES2 (0.43) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6729848 0.88 PTGS2 (0.45) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6718279 0.87 PTGES2 (0.41) PTGS2PTGS1CA1CA2CA4
SCHEMBL6719206 0.87 PTGS2 (0.49) PTGS2PTGS1PTGES2DHODHTRPV1
SCHEMBL6726246 0.86 PTGS2 (0.48) PTGS2PTGS1ADORA1PTGES2DHODH
SCHEMBL6725953 0.85 PTGS2 (0.46) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6730239 0.85 BRD4 (0.47) PTGS2PTGS1MT-CO2CA12CA1

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 5/4885PTGS1 4/4885MT-CO2 3544/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885MT-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.