SCHEMBL933233

SCHEMBL933233

CCOC(=O)/C(O)=C/C(=O)c1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.47
TDP1 Q9NUW8 3/20 0.45
HPGD P15428 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
PARP1 P09874 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
CES2 O00748 1/20 0.41
ACHE P22303 1/20 0.41
CES1 P23141 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
POLB P06746 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
SCHEMBL933234 1.00 GPR52 (0.47) GPR52TDP1HPGDCA12CA1
SCHEMBL4016111 0.86 MAPT (0.54) TDP1HPGDCA12CA1CA9
SCHEMBL3578987 0.86 MAPT (0.54) TDP1HPGDCA12CA1CA9
SCHEMBL3578988 0.86 MAPT (0.54) TDP1HPGDCA12CA1CA9
SCHEMBL934154 0.86 MAPT (0.48) TDP1HPGDCA12CA1CA9
SCHEMBL8090077 0.86 LMNA (0.50) GPR52TDP1HPGDCA12CA1
SCHEMBL934155 0.86 MAPT (0.48) TDP1HPGDCA12CA1CA9
SCHEMBL2234390 0.85 SMN1; SMN2 (0.49) GPR52ALDH1A1MAPTPARP1SMN1; SMN2
SCHEMBL2234385 0.85 SMN1; SMN2 (0.49) GPR52ALDH1A1MAPTPARP1SMN1; SMN2
SCHEMBL934099 0.85 NPC1 (0.54) GPR52HPGDALDH1A1MAPTPARP1

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 GPR52 3427/4885TDP1 1199/4885HPGD 920/4885

“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.