SCHEMBL6721832

SCHEMBL6721832

Cc1cccc(C2=C(c3ccc(CS(=O)(=O)Cc4ccc(C5=C(c6cccc(C)n6)CCC5)cc4F)c(F)c3)CCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.41
TGFBR1 P36897 4/20 0.39
THRB P10828 3/20 0.39
PTGS1 P23219 5/20 0.38
PTGER1 P34995 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD11B1 P28845 1/20 0.35
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33

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
SCHEMBL6725527 0.82 PTGS2 (0.45) PTGS2PTGS1PTGER1
SCHEMBL7047334 0.81 PTGS2 (0.48) PTGS2TGFBR1THRBPTGS1
SCHEMBL6729437 0.81 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL6728874 0.81 PTGS2 (0.47) PTGS2TGFBR1THRBPTGS1
SCHEMBL6722877 0.80 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6722092 0.80 PTGS2 (0.48) PTGS2PTGS1HSD11B1
SCHEMBL6718366 0.79 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6721801 0.79 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6718983 0.79 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6723207 0.79 PTGS2 (0.44) PTGS2PTGS1PTGER1

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 5/4885TGFBR1 1568/4885THRB 1714/4885

“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.