SCHEMBL6901530

SCHEMBL6901530

O=CN(CC(=O)O)c1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 3/20 0.49
TSHR P16473 2/20 0.44
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA1 P00915 1/20 0.40
CA6 P23280 1/20 0.40
HSD17B1 P14061 5/20 0.39
HSD17B2 P37059 5/20 0.39
LMNA P02545 2/20 0.37
CA5A P35218 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
ALOX15 P16050 2/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL698988 0.81 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRCYP2C19TDP1
SCHEMBL6909975 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRHSD17B1HSD17B2
SCHEMBL342130 0.80 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRCA12CA2
SCHEMBL6905661 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRCA12CA2
SCHEMBL8740019 0.79 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRCA12CA2
SCHEMBL8740014 0.79 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRCA12CA2
SCHEMBL6904231 0.78 CA2 (0.42) ALDH1A1CYP3A4CA12CA2CA9
SCHEMBL12276186 0.77 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRCA12CA2
SCHEMBL5088886 0.77 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRCA12CA2
SCHEMBL6907477 0.76 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRHSD17B1HSD17B2

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 ALDH1A1 1110/4885CYP3A4 4050/4885TSHR 3740/4885

“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.