SCHEMBL5481378

SCHEMBL5481378

CS(=O)(=O)OC(CC#Cc1ccc(OC(F)(F)F)cc1)C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
EPHX2 P34913 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KIF11 P52732 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DPP4 P27487 3/20 0.34
DPP7 Q9UHL4 3/20 0.34
KCNH2 Q12809 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
SPPL2B Q8TCT7 1/20 0.34
SPPL2A Q8TCT8 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
HTR2A P28223 1/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP14 P50281 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
SCHEMBL27670511 0.78 ACACB (0.39) ACACBEPHX2L3MBTL1TDP1EPHX1
SCHEMBL5481361 0.74 PPARD (0.44)
SCHEMBL5485924 0.72 FBP1 (0.37) ACACBEPHX2HTR2A
SCHEMBL5481366 0.70 PTGS2 (0.39) ACACBKIF11MMP2MMP9MMP14
SCHEMBL5484798 0.69 PPARD (0.45)
SCHEMBL3871947 0.69 ACACB (0.39) ACACBKIF11MMP2MMP9PTGS2
SCHEMBL16841023 0.66 ACACB (0.44) ACACBEPHX2L3MBTL1TDP1MMP2
SCHEMBL2350604 0.64 CA1 (0.39) KIF11MMP2MMP9SCN9A
SCHEMBL3877682 0.64 ACACB (0.47) ACACBEPHX2L3MBTL1KIF11SLC6A4
SCHEMBL28659226 0.64 ACACB (0.50) ACACBEPHX2L3MBTL1KIF11TDP1

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-7253192-B2 Phenyl derivatives comprising an acetylene group HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1765760-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F.HOFFMANN-LA ROCHE AG (CH) 2007-03-28 EP disclosed
WO-2006002802-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004091-A1 Phenyl derivatives comprising an acetylene group F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 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 (1 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-20060004091-A1 Phenyl derivatives comprising an acetylene group PPARD, PPARA, PPARG ACACB 47/4885EPHX2 1651/4885L3MBTL1 3693/4885

“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.