SCHEMBL4647903

SCHEMBL4647903

COc1cc(C2NC(=O)NC(C)=C2C(=O)OC(C)C)cc(Br)c1O

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.76
TSHR P16473 3/20 0.70
HSD17B10 Q99714 2/20 0.68
ALDH1A1 P00352 4/20 0.57
RAB9A P51151 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PKM P14618 1/20 0.56
HTT P42858 1/20 0.56
ADORA2B P29275 3/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PABPC1 P11940 1/20 0.49
EIF4H Q15056 1/20 0.49
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48

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
SCHEMBL4649301 0.90 GAA (0.70) GAATSHRHSD17B10ALDH1A1RAB9A
SCHEMBL4647287 0.90 GAA (0.84) GAATSHRHSD17B10ALDH1A1RAB9A
SCHEMBL4650224 0.87 GAA (0.70) GAATSHRHSD17B10ALDH1A1RAB9A
SCHEMBL4647999 0.87 GAA (0.61) GAATSHRHSD17B10ALDH1A1RAB9A
SCHEMBL4648732 0.87 GAA (0.78) GAATSHRHSD17B10ALDH1A1MEN1
SCHEMBL6408711 0.85 GAA (0.76) GAATSHRHSD17B10ALDH1A1MEN1
SCHEMBL4647258 0.83 TSHR (0.98) GAATSHRHSD17B10ALDH1A1MEN1
SCHEMBL4647779 0.82 TSHR (1.00) GAATSHRHSD17B10ALDH1A1MEN1
SCHEMBL4649112 0.81 GAA (0.78) GAATSHRHSD17B10ALDH1A1RAB9A
SCHEMBL10113715 0.80 GAA (0.67) GAAHSD17B10ALDH1A1RAB9AMEN1

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 349/4885TSHR 4678/4885HSD17B10 1067/4885

“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.