SCHEMBL6722749

SCHEMBL6722749

Cc1cc(C2=C(c3ccc(S(C)(=O)=O)c(F)c3)COC2=O)ccc1Br

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.56
PTGS1 P23219 9/20 0.56
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
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP19A1 P11511 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
SCHEMBL6723327 0.91 PTGS2 (0.50) PTGS2PTGS1LMNAHTTSMN1; SMN2
SCHEMBL6730262 0.91 PTGS2 (0.56) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6718475 0.91 PTGS2 (0.58) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6739072 0.91 PTGS2 (0.60) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6718937 0.91 PTGS2 (0.64) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6729200 0.90 PTGS2 (0.59) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6725497 0.88 PTGS2 (0.60) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6729846 0.87 PTGS2 (0.57) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6512949 0.87 PTGS2 (0.58) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6728652 0.87 PTGS2 (0.48) 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 4/4885ABCB11 2898/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885ABCB11 2983/4885

“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.