SCHEMBL2608535

SCHEMBL2608535

COc1ccc2c(n1)CC(C(=O)O)N2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHEK1 O14757 1/20 0.38
JAK2 O60674 1/20 0.38
NNMT P40261 1/20 0.36
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL1559298 0.86 ALDH1A1 (0.51) GAAMAPTALDH1A1TP53CYP1A2
SCHEMBL1769807 0.76 ALDH1A1 (0.39) MAPTALDH1A1TP53CYP1A2HPGD
SCHEMBL1428730 0.71 DDB1 (0.37) GAAMAPTPOLBTDP1CHEK1
SCHEMBL28849076 0.70 GAA (0.45) GAAMAPTALDH1A1TP53CYP1A2
SCHEMBL2608144 0.69 MAPT (0.56) GAAMAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL4365304 0.69 GAA (0.55) GAAMAPTALDH1A1TP53CYP1A2
SCHEMBL7044783 0.69 GAA (0.55) GAAMAPTALDH1A1TP53CYP1A2
SCHEMBL7037302 0.69 GAA (0.55) GAAMAPTALDH1A1TP53CYP1A2
SCHEMBL24112504 0.68 ALDH1A1 (0.44) GAAMAPTALDH1A1TP53CYP1A2
SCHEMBL7657575 0.68 ALDH1A1 (0.44) GAAMAPTALDH1A1TP53CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US 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-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB GAA 80/4885MAPT 2202/4885ALDH1A1 720/4885

“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.