SCHEMBL6906601

SCHEMBL6906601

COC(=O)CN(C=O)c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
TYR P14679 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MIF P14174 5/20 0.38
ESRRB O95718 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38
RAB9A P51151 1/20 0.38
ESR1 P03372 3/20 0.37
ESR2 Q92731 2/20 0.37
HSP90AB1 P08238 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL6904226 0.85 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL9265805 0.85 MAPT (0.45) CA1CA2ALDH1A1RAB9AESR2
SCHEMBL6901533 0.84 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EMEN1TSHR
SCHEMBL6909975 0.81 ALDH1A1 (0.47) ALDH1A1HSP90AB1KDM4ECYP3A4ALOX15
SCHEMBL6907195 0.81 KMT2A (0.45) ALDH1A1MAPTKDM4EMEN1TP53
SCHEMBL22468235 0.80 SMN1; SMN2 (0.49) ALDH1A1RAB9AMAPTKDM4EHPGD
SCHEMBL32670823 0.79 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL25364824 0.78 ALDH1A1 (0.66) ALDH1A1RAB9AKDM4EMEN1KMT2A
SCHEMBL6904231 0.78 CA2 (0.42) CA12CA1CA2CA7CA9
SCHEMBL12643474 0.77 ESR1 (0.47) CA12CA1CA2CA7CA9

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 CA12 3784/4885CA1 3257/4885CA2 1324/4885

“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.