SCHEMBL1058879

SCHEMBL1058879

CCOC(=O)C(O)=CC(=O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 4/20 0.49
TBXAS1 P24557 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TGM2 P21980 1/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP1B1 Q16678 1/20 0.47
GAA P10253 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
APP P05067 1/20 0.46
HCAR3 P49019 1/20 0.46

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
SCHEMBL1058878 1.00 ALDH1A1 (0.49) ALDH1A1KMT2ATBXAS1MEN1POLB
SCHEMBL629545 0.84 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL629546 0.84 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL3578988 0.84 MAPT (0.54) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL3578987 0.84 MAPT (0.54) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL4016111 0.84 MAPT (0.54) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL933430 0.83 HDAC1 (0.44) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL933429 0.83 HDAC1 (0.44) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL933237 0.82 MAPT (0.45) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL933235 0.82 MAPT (0.45) ALDH1A1KMT2AMEN1L3MBTL1MAPT

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-20120189579-A1 SUBSTITUTED PYRROLIDINONE AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2012-07-26 US disclosed
EP-2451453-A1 SUBSTITUTED PYRROLIDINONE AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE Vivalis (FR) 2012-05-16 EP disclosed
WO-2011004018-A1 SUBSTITUTED PYRROLIDINONE 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-20120189579-A1 SUBSTITUTED PYRROLIDINONE AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE POLM, POLRMT, POLR2E ALDH1A1 1687/4885KMT2A 3056/4885TBXAS1 3178/4885

“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.