SCHEMBL6907741

SCHEMBL6907741

COC(=O)CN(C(C)=O)c1ccc(OC(C)=O)c(OC(C)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TOP1 P11387 2/20 0.40
CFD P00746 2/20 0.39
PTGS1 P23219 1/20 0.39
NR3C1 P04150 1/20 0.38
TNFSF11 O14788 1/20 0.37
MLYCD O95822 1/20 0.37
BACE1 P56817 1/20 0.37
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
CCR5 P51681 1/20 0.37
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6906977 0.86 ALDH1A1 (0.41) RAB9ATSHRKDM4EALDH1A1GAA
SCHEMBL6902825 0.85 TSHR (0.49) RAB9ATSHRKDM4EALDH1A1GAA
SCHEMBL6908944 0.81 ALDH1A1 (0.46) TSHRALDH1A1GAAMLYCDPKM
SCHEMBL6906587 0.79 CYP3A4 (0.46) RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6907182 0.78 PTPN1 (0.41) RAB9ATSHRKDM4EALDH1A1GAA
SCHEMBL6907713 0.75 PTGS2 (0.45) TSHRKDM4EALDH1A1PTGS1
SCHEMBL5813341 0.75 MLYCD (0.45) RAB9ATSHRKDM4EALDH1A1GAA
SCHEMBL11155479 0.74 MMP2 (0.49) RAB9AALDH1A1MLYCDSMN1; SMN2
SCHEMBL6903155 0.74 LMNA (0.45) TSHRALDH1A1MLYCD
SCHEMBL5353769 0.73 ALDH1A1 (0.51) TSHRALDH1A1MLYCDSMN1; SMN2

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 RAB9A 2579/4885TSHR 3740/4885KDM4E 2760/4885

“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.