SCHEMBL6009869

SCHEMBL6009869

NC(CSSC[C@H](NCC(O)CO)C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.33
NOS2 P35228 3/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
TGFBR1 P36897 2/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
KIF11 P52732 2/20 0.30
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRM1 Q13255 1/20 0.30
GRM2 Q14416 1/20 0.30
DNMT1 P26358 1/20 0.30

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
SCHEMBL6009884 1.00 SLC1A1 (0.33) SLC1A1NOS2NOS1NOS3ARG1
SCHEMBL6009606 0.90 ITGB1 (0.36) TGFBR1ITGB1ITGA4
SCHEMBL6009583 0.90 ITGB1 (0.36) TGFBR1ITGB1ITGA4
SCHEMBL12764378 0.86 SLC1A3 (0.35) SLC1A1NOS2NOS1NOS3ARG1
SCHEMBL11032343 0.78 CA1 (0.38) GRIK1GRIK2
SCHEMBL11032334 0.78 CA1 (0.38) GRIK1GRIK2
SCHEMBL11032340 0.78 CA1 (0.38) GRIK1GRIK2
SCHEMBL6009876 0.78 SLC1A1 (0.31) SLC1A1NOS2NOS1NOS3ARG1
SCHEMBL25455637 0.77 NOS2 (0.39) SLC1A1NOS2NOS1NOS3ARG1
SCHEMBL3147730 0.77 ARG1 (0.36) SLC1A1NOS2NOS1NOS3ARG1

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 SLC1A1 3047/4885NOS2 3333/4885NOS1 3504/4885

“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.