SCHEMBL6718404

SCHEMBL6718404

CS(=O)(=O)c1ccc(-c2c(-c3cccnc3)noc2C(F)(F)F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.54
PTGS1 P23219 4/20 0.44
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA4 P43681 1/20 0.38
NTRK1 P04629 1/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
S1PR1 P21453 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6729793 0.90 PTGS2 (0.46) PTGS2PTGS1ESR1ESR2SMN1; SMN2
SCHEMBL6723321 0.88 PTGS2 (0.69) PTGS2PTGS1ESR1ESR2NR1H2
SCHEMBL6722836 0.86 PTGS2 (0.48) PTGS2PTGS1CHRNB2CHRNA5CHRNA4
SCHEMBL24334885 0.86 PTGS2 (0.69) PTGS2PTGS1ESR1ESR2LMNA
SCHEMBL6725985 0.85 PTGS2 (0.51) PTGS2ESR1ESR2NR1H2NR1H3
SCHEMBL6723316 0.85 PTGS2 (0.56) PTGS2PTGS1ESR1ESR2NR1H2
SCHEMBL6723360 0.85 PTGS2 (0.57) PTGS2PTGS1ESR1ESR2NR1H2
SCHEMBL6723456 0.85 PTGS2 (0.70) PTGS2PTGS1ESR1ESR2SMN1; SMN2
SCHEMBL6721754 0.84 PTGS2 (0.55) PTGS2PTGS1ESR1ESR2NR1H2
SCHEMBL6721690 0.84 PTGS2 (0.55) PTGS2PTGS1ESR1ESR2SMN1; SMN2

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 3 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
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 (1 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-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885ESR1 1900/4885

“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.