SCHEMBL5339115

SCHEMBL5339115

O=[C]NS(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.46
HDAC1 Q13547 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP14 P50281 2/20 0.45
MMP1 P03956 1/20 0.45
ADAM17 P78536 1/20 0.45
KIF11 P52732 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
FBP1 P09467 1/20 0.42

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
SCHEMBL419333 0.79 FFAR4 (0.56) FFAR4L3MBTL1HDAC1HDAC8MMP2
SCHEMBL8012671 0.79 FFAR4 (0.56) FFAR4L3MBTL1HDAC1HDAC8MMP2
SCHEMBL2371770 0.79 FFAR4 (0.56) FFAR4L3MBTL1HDAC1HDAC8MMP2
SCHEMBL2371771 0.79 SMN1; SMN2 (0.63) FFAR4L3MBTL1HDAC1HDAC8MMP2
SCHEMBL5335389 0.77 MMP2 (0.61) FFAR4MMP2MMP9MMP1SMN1; SMN2
SCHEMBL5335703 0.77 CA1 (0.50) MMP2MMP9MMP1KIF11SMN1; SMN2
SCHEMBL5338319 0.76 ALDH3A1 (0.43) FFAR4HDAC1HDAC8MMP2MMP9
SCHEMBL5339117 0.76 FFAR4 (0.54) FFAR4L3MBTL1HDAC1HDAC8MMP2
SCHEMBL16060627 0.76 FFAR4 (0.57) FFAR4L3MBTL1HDAC1HDAC8MMP2
SCHEMBL24604548 0.75 FFAR4 (0.52) FFAR4L3MBTL1HDAC1HDAC8MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030216571-A1 Antiallergens; antiinflammatory agents UBE INDUSTRIES, LTD. (JP) 2003-11-20 US claimed
EP-1254897-A1 TRICYCLIC COMPOUNDS Ube Industries, Ltd. (JP) 2002-11-06 EP claimed
US-7309718-B2 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2007-12-18 US disclosed
US-20040180884-A1 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2004-09-16 US disclosed
EP-1408033-A1 DIBENZOCYCLOHEPTENE COMPOUND Ube Industries, Ltd. (JP) 2004-04-14 EP disclosed
US-20030216571-A1 Antiallergens; antiinflammatory agents UBE INDUSTRIES, LTD. (JP) 2003-11-20 US disclosed
EP-1254897-A1 TRICYCLIC COMPOUNDS Ube Industries, Ltd. (JP) 2002-11-06 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-20040180884-A1 Dibenzocycloheptene compound LTB4R2, LTA4H, LTC4S FFAR4 247/4885L3MBTL1 1538/4885HDAC1 590/4885
US-20030216571-A1 Antiallergens; antiinflammatory agents CYSLTR2, CYSLTR1, LTC4S FFAR4 1532/4885L3MBTL1 1403/4885HDAC1 500/4885

“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.