SCHEMBL6900834

SCHEMBL6900834

CC(=O)NCC(=O)Nc1ccc(OC(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.60
HSD17B10 Q99714 2/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
POLB P06746 3/20 0.52
PKM P14618 1/20 0.52
ALDH1A1 P00352 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MAPT P10636 1/20 0.50
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
EPHX2 P34913 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
SCHEMBL6907643 0.88 GAA (0.57) GAAHSD17B10TSHRHTTKMT2A
SCHEMBL6906485 0.82 MEN1 (0.59) GAAHTTKMT2AMEN1POLB
SCHEMBL11022210 0.81 GAA (0.65) GAAHSD17B10TSHRHTTKMT2A
SCHEMBL6907747 0.81 GAA (0.57) GAAHSD17B10TSHRHTTKMT2A
Diacetamate SCHEMBL863106 0.81 KMT2A (0.81) GAAHSD17B10TSHRHTTKMT2A
SCHEMBL6906984 0.80 SMN1; SMN2 (0.49) GAAHSD17B10TSHRPOLBPKM
SCHEMBL6073513 0.80 GAA (0.63) GAAHSD17B10TSHRHTTKMT2A
SCHEMBL5228411 0.80 GAA (0.63) GAAHSD17B10TSHRHTTKMT2A
SCHEMBL6905913 0.80 GAA (0.63) GAAHSD17B10TSHRHTTKMT2A
SCHEMBL3653541 0.80 MAPT (0.62) GAAHSD17B10TSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6824786-B2 TOPICAL APPLYING COSMETIC YU RUEY J (US) 2004-11-30 US claimed
EP-1455734-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES Yu, Ruey J., Dr. (US) 2004-09-15 EP claimed
US-20030108496-A1 Compositions comprising phenyl-glycine derivatives YU RUEY J (US) 2003-06-12 US claimed
WO-2003045338-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES YU RUEY J (US) 2003-06-05 WO claimed
US-6824786-B2 TOPICAL APPLYING COSMETIC YU RUEY J (US) 2004-11-30 US disclosed
EP-1455734-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES Yu, Ruey J., Dr. (US) 2004-09-15 EP disclosed
US-20030108496-A1 Compositions comprising phenyl-glycine derivatives YU RUEY J (US) 2003-06-12 US disclosed
WO-2003045338-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES YU RUEY J (US) 2003-06-05 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-20030108496-A1 Compositions comprising phenyl-glycine derivatives GRHPR, ARL1, SUCLG1 GAA 1037/4885HSD17B10 513/4885TSHR 3740/4885

“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.