SCHEMBL6009606

SCHEMBL6009606

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

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.36
ITGA4 P13612 3/20 0.36
TGFBR1 P36897 3/20 0.35
OR51E2 Q9H255 1/20 0.33
SLC22A6 Q4U2R8 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
SCHEMBL6009583 1.00 ITGB1 (0.36) ITGB1ITGA4TGFBR1OR51E2SLC22A6
SCHEMBL6009884 0.90 SLC1A1 (0.33) ITGB1ITGA4TGFBR1
SCHEMBL6009869 0.90 SLC1A1 (0.33) ITGB1ITGA4TGFBR1
SCHEMBL5712806 0.84 TGFBR1 (0.42) TGFBR1OR51E2SLC22A6
SCHEMBL5712807 0.84 TGFBR1 (0.42) TGFBR1OR51E2SLC22A6
SCHEMBL6010243 0.79 LMNA (0.46)
SCHEMBL6010246 0.79 LMNA (0.46)
SCHEMBL321603 0.78 KDM4E (0.44) TGFBR1OR51E2SLC22A6
SCHEMBL6009823 0.78 SLC22A6 (0.46) TGFBR1OR51E2SLC22A6
SCHEMBL6009828 0.78 SLC22A6 (0.46) TGFBR1OR51E2SLC22A6

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 ITGB1 2586/4885ITGA4 3698/4885TGFBR1 4512/4885

“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.