SCHEMBL6723407

SCHEMBL6723407

Cc1cncc(C2=C(c3ccc(S(N)(=O)=O)c(F)c3)COC2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.48
PTGS1 P23219 10/20 0.46
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ABCB11 O95342 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MT-CO2 P00403 1/20 0.37
HTR1A P08908 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
MC4R P32245 1/20 0.37

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
SCHEMBL6723856 0.90 PTGS2 (0.52) PTGS2PTGS1CYP19A1ABCB11ALDH1A1
SCHEMBL6721406 0.88 PTGS2 (0.53) PTGS2PTGS1CYP19A1ABCB11ALDH1A1
SCHEMBL6728307 0.87 PTGS2 (0.47) PTGS2PTGS1CYP11B1CYP11B2ABCB11
SCHEMBL6721938 0.86 PTGS2 (0.64) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6729240 0.86 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6721384 0.85 PTGS2 (0.51) PTGS2PTGS1CYP19A1ABCB11ALDH1A1
SCHEMBL6721361 0.84 PTGS2 (0.47) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6729555 0.83 PTGS2 (0.53) PTGS2PTGS1CYP19A1
SCHEMBL6729145 0.83 PTGS2 (0.56) PTGS2PTGS1CYP19A1
SCHEMBL6723238 0.82 PTGS2 (0.52) PTGS2PTGS1CYP19A1

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 2 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
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 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 (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 4/4885CYP19A1 1102/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885CYP19A1 1069/4885

“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.