SCHEMBL12427705

SCHEMBL12427705

COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)cnc1OC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
PIK3C3 Q8NEB9 1/20 0.48
GRIN2B Q13224 12/20 0.48
GRIN1 Q05586 9/20 0.48
BRAF P15056 1/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
CFTR P13569 1/20 0.45
RORB Q92753 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL14931902 0.89 PARP1 (0.51) PARP1PIK3C3GRIN2BGRIN1RORB
SCHEMBL12427702 0.86 CFTR (0.48) PIK3C3GRIN2BGRIN1HCRTR1HCRTR2
SCHEMBL4876885 0.82 AXL (0.59) PIK3C3ALDH1A1
SCHEMBL1420910 0.81 GRIN2B (0.49) PARP1GRIN2BGRIN1RORB
SCHEMBL16395600 0.80 KMT2A (0.49) CFTRALDH1A1
SCHEMBL1810792 0.80 MAPK1 (0.50) RORB
SCHEMBL1420861 0.79 GRIN2B (0.50) PARP1GRIN2BGRIN1
SCHEMBL1420749 0.79 PARP1 (0.48) PARP1GRIN2BGRIN1
SCHEMBL5781938 0.78 NR4A2 (0.54) HCRTR1HCRTR2CFTRKDM4EALDH1A1
SCHEMBL1420958 0.78 GRIN2B (0.51) PARP1GRIN2BGRIN1

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-8461183-B2 PPAR agonist compounds, preparation and uses GENFIT (FR) 2013-06-11 US disclosed
EP-2310371-B1 PPAR AGONIST COMPOUNDS AND PREPARATION AND USES THEREOF FOR TREATING DIABETES AND/OR DYSLIPIDEMIA GENFIT (FR) 2013-05-15 EP disclosed
US-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES GENFIT (FR) 2011-08-11 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-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES PPARD, PPARA, PPARG PARP1 2341/4885PIK3C3 4314/4885GRIN2B 2092/4885

“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.