SCHEMBL6908436

SCHEMBL6908436

O=CN(CC(=O)O)c1ccccc1O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 16/20 0.42
CA2 P00918 16/20 0.42
AKR1B1 P15121 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HMGB1 P09429 1/20 0.35
HPGD P15428 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA7 P43166 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA9 Q16790 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL6907873 0.80 LMNA (0.39) CA1CA2TRIM24TRIM33KDM4E
SCHEMBL5420723 0.79 TRIM24 (0.39) CA1CA2TDP1TRIM24TRIM33
SCHEMBL6905893 0.79 CA1 (0.44) CA1CA2KDM4ECA12ALDH1A1
SCHEMBL698988 0.79 ALDH1A1 (0.45) AKR1B1TDP1ALDH1A1SMN1; SMN2
SCHEMBL4646824 0.77 AKR1B1 (0.47) CA1CA2AKR1B1TDP1KDM4E
SCHEMBL30580346 0.77 TDP1 (0.58) CA1CA2AKR1B1TDP1
SCHEMBL8597736 0.77 TDP1 (0.58) CA1CA2AKR1B1TDP1
SCHEMBL10434660 0.75 C5AR1 (0.36) CA1TRIM24TRIM33KDM4EALDH1A1
SCHEMBL29085120 0.75 CA1 (0.51) CA1CA2AKR1B1TDP1
SCHEMBL6907459 0.74 PTGS2 (0.45) TDP1KDM4EALDH1A1HMGB1HPGD

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 CA1 3257/4885CA2 1324/4885AKR1B1 390/4885

“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.