SCHEMBL6906218

SCHEMBL6906218

COC(=O)CN(C(C)=O)c1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TSPO P30536 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GSTO1 P78417 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL6907473 0.84 CA1 (0.44) TSHRCA12CA1CA7CA14
SCHEMBL6907851 0.84 OPRM1 (0.43) TSHRLMNACA12CA1CA7
SCHEMBL6980928 0.82 MLYCD (0.38) TSHRLMNACA12CA1CA7
SCHEMBL6900881 0.81 AKR1B1 (0.41) CA12CA1CA7CA14CA2
SCHEMBL13258261 0.81 TDP1 (0.43) TSHRLMNACA12CA1CA7
SCHEMBL6907713 0.80 PTGS2 (0.45) TSHRLMNATSPOADORA2AADORA2B
SCHEMBL5353769 0.78 ALDH1A1 (0.51) TSHRTSPOALDH1A1MAPK1SMN1; SMN2
SCHEMBL9081949 0.78 ALDH1A1 (0.46) TSHRLMNACA12CA1CA7
SCHEMBL6907873 0.76 LMNA (0.39) TSHRLMNACA12CA1CA7
SCHEMBL10541028 0.74 MLYCD (0.49) TSHRALDH1A1MAPK1SMN1; SMN2MLYCD

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 3740/4885LMNA 1347/4885CA12 3784/4885

“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.