SCHEMBL4648858

SCHEMBL4648858

CCC(C)OC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)c(O)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.66
HSD17B10 Q99714 3/20 0.66
NPC1 O15118 1/20 0.66
ADORA2B P29275 2/20 0.57
TSHR P16473 4/20 0.55
HTT P42858 1/20 0.55
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL4650224 0.90 GAA (0.70) GAAHSD17B10NPC1ADORA2BTSHR
SCHEMBL4647287 0.88 GAA (0.84) GAAHSD17B10NPC1ADORA2BTSHR
SCHEMBL4744658 0.86 GAA (0.66) GAAHSD17B10NPC1ADORA2BTSHR
SCHEMBL13745523 0.85 GAA (0.76) GAAHSD17B10NPC1TSHRHTT
SCHEMBL6406676 0.85 GAA (0.73) GAAHSD17B10NPC1ADORA2BTSHR
SCHEMBL4647892 0.82 GAA (0.70) GAAHSD17B10NPC1ADORA2BTSHR
SCHEMBL4648311 0.79 GAA (1.00) GAAHSD17B10NPC1ADORA2BTSHR
SCHEMBL4647903 0.78 GAA (0.76) GAAHSD17B10NPC1ADORA2BTSHR
SCHEMBL4743523 0.77 GAA (0.57) GAAHSD17B10NPC1ADORA2BTSHR
SCHEMBL6404869 0.76 GAA (0.56) GAAHSD17B10NPC1ADORA2BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675834-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-08-27 EP claimed
EP-1675834-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-07-05 EP claimed
US-20050282838-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-12-22 US claimed
WO-2005037799-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-04-28 WO claimed
US-20050282838-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-12-22 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-20050282838-A1 Compounds, compositions, and methods PCNA, MKI67, TP53 GAA 349/4885HSD17B10 1067/4885NPC1 168/4885

“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.