SCHEMBL932774

SCHEMBL932774

COC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)C2c2ccc(C(C)(C)C)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 9/20 0.48
MAPT P10636 6/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PPARG P37231 3/20 0.44
NCOR2 Q9Y618 2/20 0.44
KMT2A Q03164 2/20 0.44
NCOA2 Q15596 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.41
HIF1A Q16665 1/20 0.41
CCR1 P32246 2/20 0.40
TSHR P16473 1/20 0.40
ANXA2 P07355 1/20 0.40
S100A10 P60903 1/20 0.40
MAP3K5 Q99683 1/20 0.38
CRBN Q96SW2 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL935206 0.87 RXFP1 (0.49) RXFP1MAPTNPSR1KDM4EPPARG
SCHEMBL6115637 0.84 RXFP1 (0.51) RXFP1MAPTNPSR1PPARGNCOR2
SCHEMBL6115962 0.77 RXFP1 (0.49) RXFP1MAPTNPSR1KDM4EKMT2A
SCHEMBL6115639 0.77 RXFP1 (0.50) RXFP1MAPTNPSR1KDM4EPPARG
SCHEMBL6116449 0.77 RXFP1 (0.54) RXFP1MAPTNPSR1KDM4EPPARG
SCHEMBL934178 0.76 RXFP1 (0.52) RXFP1MAPTNPSR1KDM4EPPARG
SCHEMBL6115565 0.75 RXFP1 (0.55) RXFP1MAPTNPSR1KDM4EKMT2A
SCHEMBL12943349 0.75 CRBN (0.40) RXFP1MAPTNPSR1KDM4EPPARG
SCHEMBL8776125 0.75 RXFP1 (0.51) RXFP1MAPTKDM4EPPARGKMT2A
SCHEMBL8777710 0.75 PPARG (0.43) RXFP1MAPTNPSR1KDM4EPPARG

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 6 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
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
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
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 RXFP1 4001/4885MAPT 25/4885NPSR1 2529/4885

“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.