SCHEMBL6905017

SCHEMBL6905017

CC(=O)Oc1cccc(NCC(=O)NC=O)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.45
LMNA P02545 1/20 0.45
GRK2 P25098 10/20 0.45
GRK3 P35626 5/20 0.44
GRK5 P34947 3/20 0.44
ROCK2 O75116 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ACHE P22303 2/20 0.42
EPHX2 P34913 1/20 0.42

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 0.83 MEN1 (0.52) MEN1KMT2ANPC1ALDH1A1TP53
SCHEMBL6907745 0.83 MAPT (0.47) MEN1KMT2AALDH1A1TP53HTT
SCHEMBL6906987 0.81 MEN1 (0.50) MEN1KMT2ANPC1ALDH1A1TP53
SCHEMBL6905019 0.78 MEN1 (0.57) MEN1KMT2ANPC1ALDH1A1TP53
SCHEMBL396146 0.78 MEN1 (0.59) MEN1KMT2ANPC1ALDH1A1TP53
SCHEMBL27683582 0.78 MEN1 (0.59) MEN1KMT2ANPC1ALDH1A1TP53
SCHEMBL6901554 0.77 ALDH1A1 (0.45) MEN1KMT2AALDH1A1CYP3A4LMNA
SCHEMBL6907719 0.75 TDP1 (0.46) MEN1KMT2ANPC1ALDH1A1LMNA
SCHEMBL6907223 0.74 ERCC1 (0.54) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL28423078 0.73 MEN1 (0.54) MEN1KMT2ANPC1ALDH1A1TP53

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 1750/4885NPC1 1648/4885

“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.