SCHEMBL6725616

SCHEMBL6725616

Cc1ccc(-c2noc(C)c2-c2ccc(S(C)(=O)=O)c(F)c2)cc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.53
PAX8 Q06710 1/20 0.45
BRD4 O60885 9/20 0.45
BRD2 P25440 8/20 0.45
BRD3 Q15059 8/20 0.45
MT-CO2 P00403 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
CA3 P07451 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
CA4 P22748 1/20 0.41
PTGS1 P23219 1/20 0.41
CA6 P23280 1/20 0.41

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
SCHEMBL6725611 0.94 PTGS2 (0.52) PTGS2PAX8BRD4BRD2BRD3
SCHEMBL6725861 0.91 PTGS2 (0.52) PTGS2PAX8BRD4BRD2BRD3
SCHEMBL6825520 0.91 PTGS2 (0.54) PTGS2PAX8BRD4BRD2BRD3
SCHEMBL6721685 0.91 PTGS2 (0.49) PTGS2PAX8BRD4BRD2BRD3
SCHEMBL6723775 0.91 PTGS2 (0.49) PTGS2PAX8BRD4BRD2BRD3
SCHEMBL6730181 0.90 PTGS2 (0.56) PTGS2PAX8BRD4BRD2BRD3
SCHEMBL6730183 0.89 PTGS2 (0.50) PTGS2PAX8BRD4BRD2BRD3
SCHEMBL6726149 0.89 PTGS2 (0.53) PTGS2PAX8BRD4MT-CO2CA12
SCHEMBL6722633 0.89 BRD4 (0.56) PTGS2PAX8BRD4BRD2BRD3
SCHEMBL6730227 0.89 PTGS2 (0.57) PTGS2PAX8BRD4BRD2BRD3

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 3383/4885BRD4 384/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PAX8 3355/4885BRD4 340/4885

“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.