SCHEMBL6726155

SCHEMBL6726155

Cc1ncccc1C1=C(c2ccc(S(C)(=O)=O)c(F)c2)COC1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.52
PTGS1 P23219 7/20 0.52
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
ABCB11 O95342 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MT-CO2 P00403 1/20 0.43
HTR1A P08908 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
MC4R P32245 1/20 0.43
PGR P06401 1/20 0.41
NR3C2 P08235 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
SCHEMBL6722659 0.90 PTGS2 (0.46) PTGS2PTGS1PDE3BPDE3APGR
SCHEMBL6736520 0.86 PTGS2 (0.51) PTGS2PTGS1PDE3BPDE3AABCB11
SCHEMBL6731311 0.85 PTGS2 (0.42) PTGS2PTGS1PDE3BPDE3AABCB11
SCHEMBL6721347 0.83 PTGS2 (0.64) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6724015 0.83 PTGS2 (0.53) PTGS2PTGS1PDE3BPDE3AABCB11
SCHEMBL6718937 0.82 PTGS2 (0.64) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6718448 0.82 PTGS2 (0.57) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6739072 0.82 PTGS2 (0.60) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6725497 0.82 PTGS2 (0.60) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6720097 0.82 PTGS2 (0.63) PTGS2PTGS1ABCB11ALDH1A1MT-CO2

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 4/4885PDE3B 2478/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885PDE3B 2264/4885

“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.