SCHEMBL6010220

SCHEMBL6010220

CC(O)C(NCC(O)CO)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
OR51E2 Q9H255 1/20 0.34
DPP4 P27487 2/20 0.33
TP53 P04637 1/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
MME P08473 1/20 0.33
VSIR Q9H7M9 1/20 0.32
CYP2D6 P10635 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 0.31
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31

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
SCHEMBL6010210 1.00 PDCD1LG2 (0.35) PDCD1LG2CD274OR51E2DPP4TP53
SCHEMBL28325810 0.88 DPP4 (0.39) OR51E2DPP4TP53ADRB2ADRB1
SCHEMBL28325811 0.88 DPP4 (0.39) OR51E2DPP4TP53ADRB2ADRB1
Glycerin SCHEMBL1944312 0.86 DPP4 (0.38) OR51E2DPP4TP53ADRB2ADRB1
SCHEMBL6010401 0.85 ALDH1A1 (0.49) DPP4MMEALDH1A1CA2CA1
SCHEMBL6010410 0.85 ALDH1A1 (0.49) DPP4MMEALDH1A1CA2CA1
SCHEMBL23961406 0.81 CYP2D6 (0.44) TP53MMECYP2D6ALDH1A1CYP2C19
SCHEMBL21290998 0.81 CYP2D6 (0.44) TP53MMECYP2D6ALDH1A1CYP2C19
SCHEMBL14930537 0.81 CYP2D6 (0.44) TP53MMECYP2D6ALDH1A1CYP2C19
SCHEMBL11739951 0.79 KDM4E (0.47) PDCD1LG2CD274OR51E2TP53MME

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060018864-A1 Cosmetic preparation containing glycerylamino acid derivative SEIWA KASEI COMPANY, LIMITED (JP) 2006-01-26 US disclosed
EP-1584320-A1 COSMETIC PREPARATION CONTAINING GLYCERYLAMINO ACID DERIVATIVE Seiwa Kasei Company, Limited (JP) 2005-10-12 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-20060018864-A1 Cosmetic preparation containing glycerylamino acid derivative GLA, GPKOW, CUTA PDCD1LG2 2072/4885CD274 2066/4885OR51E2 2335/4885

“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.