SCHEMBL6904231

SCHEMBL6904231

O=CN(CC(=O)O)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.42
CAMK2A Q9UQM7 2/20 0.42
ESR1 P03372 5/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA3 P07451 2/20 0.37
TYR P14679 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
DRD1 P21728 1/20 0.37
ESR2 Q92731 3/20 0.37
AKR1B10 O60218 2/20 0.35
AKR1B1 P15121 2/20 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
SCHEMBL698988 0.83 ALDH1A1 (0.45) AKR1B1ALDH1A1KMT2ACYP3A4
SCHEMBL2775697 0.82 PTGDR2 (0.39) CA2CA12CA1CA9
SCHEMBL12643474 0.79 ESR1 (0.47) CA2ESR1CA12CA1CA7
SCHEMBL6901530 0.78 ALDH1A1 (0.49) CA2CA12CA1CA6CA5A
SCHEMBL6906601 0.78 CA12 (0.40) CA2ESR1CA12CA1TYR
SCHEMBL11297196 0.77 CA2 (0.46) CA2CAMK2AESR1CA12CA1
SCHEMBL13645018 0.77 CA2 (0.46) CA2CAMK2AESR1CA12CA1
SCHEMBL22468266 0.77 SMN1; SMN2 (0.57) ALDH1A1
SCHEMBL6904226 0.77 CA12 (0.49) CA2ESR1CA12CA1CA7
SCHEMBL25362468 0.76 NR4A1 (0.54) ALDH1A1MAOBPTGS2

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 15 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
EP-0137227-B1 PROCESS FOR THE PREPARATION OF CEPHALOSPORIN DERIVATIVES USING NOVEL THIOESTERS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-12-16 EP disclosed
EP-0047014-B1 NOVEL THIOESTERS AND PROCESS FOR THE PREPARATION OF THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1986-01-15 EP disclosed
EP-0137227-A1 Process for the preparation of cephalosporin derivatives using novel thioesters Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1985-04-17 EP disclosed
US-4463179-A ACYLATION OF 7-AMINO-OR HYDRAZINO CEPHALOSPORINS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-07-31 US disclosed
US-4456754-A ACYLATION OF CEPHALOSPORIN DERIVATIVE WITH THIOESTER ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-06-26 US disclosed
US-4454323-A 1-Methyltetrazol-5-ylthio ester of cyanomethylthioacetic acid ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-06-12 US disclosed
EP-0047014-A2 Novel thioesters and process for the preparation of the same Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-03-10 EP 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 CA2 1324/4885CAMK2A 4348/4885ESR1 3961/4885

“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.