SCHEMBL934447

SCHEMBL934447

CC(F)(F)Oc1ccc(CO)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.59
PPARG P37231 3/20 0.59
LTA4H P09960 1/20 0.45
TSHR P16473 2/20 0.41
EPHX2 P34913 2/20 0.39
NR1H4 Q96RI1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
FAAH O00519 1/20 0.37
KIF11 P52732 1/20 0.37
GRIN2B Q13224 1/20 0.36
ELANE P08246 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
PTPN1 P18031 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL319906 0.83 PPARA (0.63) PPARAPPARGLTA4HTSHREPHX2
SCHEMBL963834 0.83 PPARG (0.53) PPARAPPARGLTA4HTSHREPHX2
SCHEMBL777692 0.79 ESR1 (0.48) PPARAPPARGTSHREPHX2NR1H4
SCHEMBL30967134 0.79 MAOB (0.47)
SCHEMBL4218815 0.79 ALDH1A1 (0.41) PPARAPPARGTSHREPHX2NR1H4
SCHEMBL11054493 0.79 PPARG (0.59) PPARAPPARGLTA4HTSHREPHX2
SCHEMBL8027367 0.78 PPARA (0.49) PPARAPPARGLTA4HTSHREPHX2
SCHEMBL15670187 0.78 PPARG (0.49) PPARAPPARGLTA4HTSHREPHX2
SCHEMBL1747062 0.78 LTA4H (0.59) PPARAPPARGLTA4HTSHREPHX2
SCHEMBL12621742 0.78 THRB (0.43) PPARAPPARGTSHRALDH1A1SLC6A4

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-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2012-05-24 US disclosed
EP-2451800-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE Vivalis (FR) 2012-05-16 EP disclosed
WO-2011004017-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2011-01-13 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-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE NAT1, POLM, PYGL PPARA 431/4885PPARG 905/4885LTA4H 4595/4885

“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.