SCHEMBL6901537

SCHEMBL6901537

CCC(=O)N(CC(N)=O)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
ESR1 P03372 4/20 0.40
ESR2 Q92731 3/20 0.40
TP53 P04637 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
OPRM1 P35372 5/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
MCL1 Q07820 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
TSHR P16473 2/20 0.34
ESRRG P62508 2/20 0.34

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
SCHEMBL6908846 0.84 TP53 (0.54) TP53OPRM1LTB4R2SIGMAR1ALDH1A1
SCHEMBL6470863 0.84 ESR1 (0.41) ESR1ESR2TP53LTB4R2ALDH1A1
SCHEMBL6909286 0.82 CA2 (0.42) CA2ESR1ESR2CA12CA1
SCHEMBL6907366 0.81 ALDH1A1 (0.47) TP53OPRM1SIGMAR1ALDH1A1HPGD
SCHEMBL6904257 0.80 KMT2A (0.46) CA2ESR1ESR2CA12CA1
SCHEMBL6908386 0.80 MLYCD (0.43) CA2ESR1ESR2CA12CA1
SCHEMBL6470888 0.80 ESR1 (0.39) CA2ESR1ESR2CA12CA1
SCHEMBL6907641 0.80 LMNA (0.42) ESR1OPRM1ALDH1A1MAPTPKM
SCHEMBL9704529 0.74 ESR1 (0.44) CA2ESR1ESR2TP53CA12
SCHEMBL7575874 0.74 ALDH1A1 (0.47) CA2ESR1ESR2TP53CA12

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 CA2 1324/4885ESR1 3961/4885ESR2 2915/4885

“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.