SCHEMBL6902825

SCHEMBL6902825

CC(=O)Oc1ccc(N(CC(=O)O)C(C)=O)cc1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
CFD P00746 2/20 0.44
PTGS1 P23219 3/20 0.39
PTGS2 P35354 2/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39
HPGD P15428 1/20 0.39
GGT1 P19440 1/20 0.39
BLM P54132 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TOP1 P11387 2/20 0.38
ALOX5 P09917 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
SCHEMBL6907741 0.85 RAB9A (0.43) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL6906977 0.83 ALDH1A1 (0.41) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL6902198 0.80 LMNA (0.47) KDM4EALDH1A1GAAHSD17B10
SCHEMBL6909174 0.78 LMNA (0.49) KDM4EALDH1A1
SCHEMBL11475772 0.76 ALDH1A1 (0.54) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL6905494 0.74 KDM4E (0.43) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL7106756 0.74 KEAP1 (0.55) TSHR
SCHEMBL6905501 0.74 PTGS2 (0.51) TSHRKDM4EALDH1A1PTGS1PTGS2
SCHEMBL7102909 0.72 PTPN7 (0.42) KDM4EALDH1A1HPGD
SCHEMBL935744 0.72 MLYCD (0.41) ALDH1A1ESR1

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 TSHR 3740/4885KDM4E 2760/4885ALDH1A1 1110/4885

“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.