SCHEMBL6906987

SCHEMBL6906987

CCC(=O)NC(=O)CNc1cccc(OC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.45
CYP3A4 P08684 1/20 0.45
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
GRK2 P25098 6/20 0.44
GRK3 P35626 4/20 0.44
GRK5 P34947 2/20 0.44
POLB P06746 1/20 0.42
NR4A1 P22736 1/20 0.42
ACHE P22303 1/20 0.42
EPHX2 P34913 1/20 0.42
ROCK2 O75116 1/20 0.41

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
SCHEMBL6906479 0.89 MEN1 (0.52) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL6907646 0.83 MAPT (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL6905017 0.81 MEN1 (0.50) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL27683582 0.81 MEN1 (0.59) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL6907375 0.79 ALDH1A1 (0.47) MEN1KMT2ARAB9AALDH1A1LMNA
SCHEMBL6906985 0.78 MEN1 (0.57) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL6908850 0.76 GAA (0.51) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL6904195 0.75 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HTTPOLBROCK2
SCHEMBL28423078 0.73 MEN1 (0.54) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL3721113 0.73 MEN1 (0.64) MEN1KMT2ARAB9ASMN1; SMN2NPC1

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 MEN1 3723/4885KMT2A 1750/4885RAB9A 2579/4885

“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.