SCHEMBL934299

SCHEMBL934299

Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)nc3)C2c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.51
CCR2 P41597 2/20 0.49
RXFP1 Q9HBX9 5/20 0.48
KDM4E B2RXH2 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TP53 P04637 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ANXA2 P07355 3/20 0.44
S100A10 P60903 3/20 0.44
ALDH1A1 P00352 2/20 0.43
MAP3K5 Q99683 1/20 0.42
ALOX15 P16050 1/20 0.41

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
SCHEMBL933540 0.97 RXFP1 (0.50) CCR1CCR2RXFP1KDM4ECRHBP
SCHEMBL933643 0.87 RXFP1 (0.43) CCR1CCR2RXFP1KDM4ECRHBP
SCHEMBL933780 0.87 RXFP1 (0.43) CCR1CCR2RXFP1KDM4ECRHBP
SCHEMBL12943495 0.87 ALDH1A1 (0.59) CCR1CCR2RXFP1KDM4ECRHBP
SCHEMBL2232358 0.84 CCR1 (0.59) CCR1CCR2RXFP1KDM4ECRHBP
SCHEMBL6116449 0.84 RXFP1 (0.54) CCR1CCR2RXFP1KDM4ECRHBP
SCHEMBL933761 0.83 RXFP1 (0.53) CCR1CCR2RXFP1KDM4ECRHBP
SCHEMBL6115565 0.82 RXFP1 (0.55) CCR1CCR2RXFP1KDM4ECRHBP
SCHEMBL12943493 0.82 RXFP1 (0.63) CCR1CCR2RXFP1KDM4ECRHBP
SCHEMBL2232399 0.82 CCR1 (0.54) CCR1CCR2RXFP1KDM4ECRHBP

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 CCR1 1378/4885CCR2 2676/4885RXFP1 4001/4885

“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.