SCHEMBL12425776

SCHEMBL12425776

CCCNS(=O)(=O)CCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.44
EPHX1 P07099 1/20 0.37
PPARA Q07869 3/20 0.36
RELA Q04206 4/20 0.34
CA2 P00918 3/20 0.32
CA12 O43570 2/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA9 Q16790 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL1155970 0.77 CA1 (0.57) CA1PPARARELACA2CA12
SCHEMBL27398462 0.76 MAPK1 (0.41) EPHX1
SCHEMBL11515763 0.75 CA1 (0.55) CA1EPHX1PPARARELACA2
SCHEMBL10153813 0.73 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL5689488 0.73 CA1 (0.52) CA1EPHX1PPARARELACA2
SCHEMBL14256399 0.72 EPHX1 (0.42) CA1EPHX1PPARARELACA2
SCHEMBL2509709 0.72 PTGS1 (0.35) PTGS1PTGS2
SCHEMBL805368 0.71
SCHEMBL4998398 0.71 RELA (0.58) CA1EPHX1PPARARELACA2
SCHEMBL9235692 0.71 CA1 (0.50) CA1PPARARELACA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 CA1 3596/4885EPHX1 650/4885PPARA 2501/4885

“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.