SCHEMBL6722728

SCHEMBL6722728

O=S(=O)(Cc1ccc(C2=C(c3cccnc3)CCC2)cc1F)Cc1ccc(C2=C(c3cccnc3)CCC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.40
PTGS1 P23219 4/20 0.40
CYP11B2 P19099 5/20 0.38
CYP11B1 P15538 4/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
THRB P10828 1/20 0.37
CYP2C19 P33261 1/20 0.37
ERN1 O75460 1/20 0.36
ABCB1 P08183 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
NPY5R Q15761 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
SCHEMBL6722884 0.84 PTGS2 (0.49) PTGS2PTGS1ALDH1A1
SCHEMBL6723207 0.82 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6722808 0.82 PTGS2 (0.42) PTGS2PTGS1CYP11B2CYP11B1
SCHEMBL6718738 0.82 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL6722757 0.81 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6729503 0.80 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6725834 0.80 PTGER1 (0.42) PTGS2PTGS1ALDH1A1CYP1A2CHRNB4
SCHEMBL6725527 0.80 PTGS2 (0.45) PTGS2PTGS1CA1CA2
SCHEMBL6722804 0.80 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6719355 0.79 PTGS2 (0.46) PTGS2PTGS1

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 1 patent. 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

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 4/4885CYP11B2 318/4885

“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.