SCHEMBL934032

SCHEMBL934032

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
PARP10 Q53GL7 1/20 0.46
HSP90AA1 P07900 1/20 0.43
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 3/20 0.42
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
POLB P06746 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
CA2 P00918 1/20 0.40
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SCN5A Q14524 1/20 0.39

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
SCHEMBL934030 1.00 KMT2A (0.51) KMT2APARP10HSP90AA1MAPTTP53
SCHEMBL934271 0.84 MAOB (0.54) KMT2APARP10MAPTALDH1A1
SCHEMBL934677 0.84 CYP1A2 (0.55) KMT2AMAPTNPSR1CA1CA2
SCHEMBL934675 0.84 CYP1A2 (0.55) KMT2AMAPTNPSR1CA1CA2
SCHEMBL934270 0.84 MAOB (0.54) KMT2APARP10MAPTALDH1A1
SCHEMBL17203947 0.84 CYP1A2 (0.55) KMT2AMAPTNPSR1CA1CA2
SCHEMBL933633 0.83 USP5 (0.43) KMT2AMAPTPOLBCA12CA1
SCHEMBL933634 0.83 USP5 (0.43) KMT2AMAPTPOLBCA12CA1
SCHEMBL6115744 0.82 ALDH1A1 (0.48) KMT2AMAPTNPSR1CA12CA1
SCHEMBL6115747 0.82 ALDH1A1 (0.48) KMT2AMAPTNPSR1CA12CA1

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 KMT2A 2787/4885PARP10 3528/4885HSP90AA1 1675/4885

“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.