SCHEMBL6901533

SCHEMBL6901533

COC(=O)CN(C=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
NR1I2 O75469 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
GSTO1 P78417 1/20 0.41
AKT1 P31749 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
KCNA5 P22460 1/20 0.39

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
SCHEMBL22468235 0.88 SMN1; SMN2 (0.49) ALDH1A1POLBNR1I2KDM4EMAPT
SCHEMBL5775237 0.84 SMN1; SMN2 (0.54) ALDH1A1GLATSHRKMT2AMEN1
SCHEMBL6906601 0.84 CA12 (0.40) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL9265805 0.83 MAPT (0.45) ALDH1A1POLBMAPK1KMT2AMAPT
SCHEMBL25364824 0.83 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL6909975 0.82 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1KDM4E
SCHEMBL11281728 0.81 MEN1 (0.50) ALDH1A1TSHRPOLBMAPK1KMT2A
SCHEMBL6907873 0.80 LMNA (0.39) ALDH1A1TSHRPOLBKMT2AMEN1
SCHEMBL8627738 0.79 POLB (0.46) ALDH1A1GLATSHRPOLBMAPK1
SCHEMBL7437555 0.79 MTNR1A (0.49) ALDH1A1GLATSHRPOLBMAPK1

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 11 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
US-4439524-A Stereoselective resolution of phenylglycine derivatives with enzyme resins BAYER AKTIENGESELLSCHAFT (DE) 1984-03-27 US disclosed
EP-0022492-B1 STEREO SELECTIVE RESOLUTION OF PHENYLGLYCINE DERIVATIVES WITH ENZYMERESINS BAYER AG (DE) 1982-09-29 EP disclosed
EP-0022492-A1 Stereo selective resolution of phenylglycine derivatives with enzymeresins BAYER AG (DE) 1981-01-21 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 ALDH1A1 1110/4885GLA 61/4885TSHR 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.