SCHEMBL6788149

SCHEMBL6788149

CS(=O)(=O)c1c(F)cc(C2=C(c3cccc(C(F)(F)F)c3)C=CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PTGS2 P35354 2/20 0.37
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
GRIA2 P42262 1/20 0.34
KCNH2 Q12809 1/20 0.34
KIF11 P52732 1/20 0.33
NPY5R Q15761 1/20 0.33
DDR1 Q08345 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
SCHEMBL6735213 0.87 PTGS2 (0.42) PTGS2KIF11
SCHEMBL6729325 0.85 PTGS2 (0.43) PTGS2
SCHEMBL6732660 0.84 PDE3B (0.36) PTGS2AKR1C3AKR1C2
SCHEMBL6733064 0.84 DHODH (0.37) PTGS2
SCHEMBL6737041 0.84 PTGS2 (0.34) KDM4EALDH1A1PTGS2
SCHEMBL6727904 0.83 PTGS2 (0.35) PTGS2
SCHEMBL6777755 0.83 PTGS2 (0.35) PTGS2
SCHEMBL6735615 0.81 PTGS2 (0.45) PTGS2
SCHEMBL6736835 0.81 NR1H2 (0.39) KDM4ENPSR1LMNAMAPTPTGS2
SCHEMBL6733556 0.81 EPAS1 (0.37) PTGS2PIN1PGR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673818-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS ARTHRITIS, PAIN, FEVER AND CANCER PHARMACIA CORPORATION 2004-01-06 US disclosed
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-08-07 US disclosed
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-02-13 US disclosed
EP-1251126-A2 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation Pharmacia Corporation (US) 2002-10-23 EP 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-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 KDM4E 3382/4885NPSR1 533/4885LMNA 2247/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 KDM4E 3382/4885NPSR1 533/4885LMNA 2247/4885

“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.