SCHEMBL933667

SCHEMBL933667

CCOC(=O)C(=O)CC(=O)c1ccc(N2CCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 7/20 0.51
KMT2A Q03164 5/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MEN1 O00255 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MAPK1 P28482 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HDAC6 Q9UBN7 1/20 0.48
TP53 P04637 3/20 0.47
HPGD P15428 2/20 0.47

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
SCHEMBL17259253 0.99 MAPT (0.53) ALDH1A1SMN1; SMN2POLBMAPTKMT2A
SCHEMBL19544292 0.83 HPGD (0.57) ALDH1A1SMN1; SMN2POLBKMT2AMEN1
SCHEMBL12733220 0.82 MAPT (0.55) ALDH1A1SMN1; SMN2MAPTKMT2ANPC1
SCHEMBL16595758 0.81 MAPT (0.57) ALDH1A1SMN1; SMN2MAPTKMT2ANPC1
SCHEMBL16596080 0.80 MAPT (0.52) ALDH1A1SMN1; SMN2MAPTKMT2ANPC1
SCHEMBL3898465 0.79 HPGD (0.61) ALDH1A1SMN1; SMN2MAPTKMT2ANPC1
SCHEMBL2911004 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2POLBMAPTKMT2A
SCHEMBL3900474 0.78 SIRT2 (0.60) ALDH1A1SMN1; SMN2MAPTKMT2ANPC1
SCHEMBL12733219 0.78 MAPT (0.51) ALDH1A1SMN1; SMN2MAPTKMT2ANPC1
SCHEMBL12020298 0.77 ESR1 (0.58) ALDH1A1SMN1; SMN2POLBMAPTKMT2A

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 ALDH1A1 1657/4885SMN1; SMN2 2980/4885POLB 21/4885

“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.