SCHEMBL6908846

SCHEMBL6908846

CCC(=O)N(CC(N)=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
ALDH1A1 P00352 2/20 0.52
GLA P06280 1/20 0.52
TSHR P16473 1/20 0.52
OPRM1 P35372 4/20 0.50
SIGMAR1 Q99720 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
NPC1 O15118 1/20 0.46
JAK2 O60674 1/20 0.46
RAB9A P51151 1/20 0.46
PAX8 Q06710 1/20 0.46
HTT P42858 1/20 0.46
ACHE P22303 1/20 0.46
ADRA2C P18825 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
SCHEMBL6470937 0.85 ALDH1A1 (0.55) TP53ALDH1A1GLATSHROPRM1
SCHEMBL6901537 0.84 CA2 (0.40) TP53ALDH1A1GLATSHROPRM1
SCHEMBL6907366 0.82 ALDH1A1 (0.47) TP53ALDH1A1TSHROPRM1SIGMAR1
SCHEMBL30268640 0.82 ALDH1A1 (0.52) TP53ALDH1A1GLATSHROPRM1
SCHEMBL11667798 0.82 RAB9A (0.62) TP53ALDH1A1GLATSHRSMN1; SMN2
SCHEMBL6252340 0.81 ALDH1A1 (0.50) TP53ALDH1A1GLATSHRSMN1; SMN2
SCHEMBL2069920 0.81 TP53 (0.68) TP53ALDH1A1GLATSHROPRM1
SCHEMBL27559930 0.81 SMN1; SMN2 (0.48) TP53ALDH1A1GLATSHRSMN1; SMN2
SCHEMBL2030599 0.81 ALDH1A1 (0.70) TP53ALDH1A1GLATSHROPRM1
SCHEMBL31480004 0.81 ALDH1A1 (0.55) TP53ALDH1A1GLATSHROPRM1

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 TP53 1429/4885ALDH1A1 1110/4885GLA 61/4885

“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.