SCHEMBL1640696

SCHEMBL1640696

COc1ccc(CNc2cc3c(c(=O)o2)C(=O)OC(C)(C)O3)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 5/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
APLNR P35414 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ERBB2 P04626 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
IRAK1 P51617 1/20 0.41
RPS6KA3 P51812 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41
AURKB Q96GD4 1/20 0.41
CSNK1G3 Q9Y6M4 1/20 0.41
HPGD P15428 1/20 0.40
PDE9A O76083 2/20 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
SCHEMBL1641932 0.88 ALDH1A1 (0.44) ALDH1A1TDP1L3MBTL1HPGDTSHR
SCHEMBL1641159 0.78 ALDH1A1 (0.39) ALDH1A1HSD17B10CASP1TDP1L3MBTL1
SCHEMBL1640731 0.78 ELANE (0.41) ALDH1A1TDP1L3MBTL1HPGDTSHR
SCHEMBL1642325 0.78 ALDH1A1 (0.43) ALDH1A1L3MBTL1PRKACAGSK3ARPS6KA3
SCHEMBL1640273 0.77 ALDH1A1 (0.37) ALDH1A1HSD17B10TDP1L3MBTL1PDE9A
SCHEMBL1641701 0.77 TP53 (0.37) ALDH1A1TDP1L3MBTL1CYP1A2CYP2C19
SCHEMBL1642260 0.76 ALDH1A1 (0.37) ALDH1A1HSD17B10CASP1TDP1L3MBTL1
SCHEMBL1641098 0.72 ALDH1A1 (0.42) ALDH1A1PRKACARPS6KB1GSK3AGSK3B
SCHEMBL1642368 0.68 MEN1 (0.34) ALDH1A1HSD17B10TDP1L3MBTL1TSHR
SCHEMBL1642394 0.68 TDP1 (0.33) TDP1L3MBTL1

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-20110098324-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
EP-2306828-A1 PROLYL HYDROXYLASE INHIBITORS Glaxosmithkline LLC (US) 2011-04-13 EP disclosed
WO-2009158315-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 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-20110098324-A1 PROLYL HYDROXYLASE INHIBITORS HIF1AN, EGLN2, EGLN3 ALDH1A1 227/4885HSD17B10 486/4885CASP1 3543/4885

“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.