SCHEMBL2868427

SCHEMBL2868427

CCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.70
NOD1 Q9Y239 8/20 0.65
FOLH1 Q04609 2/20 0.59
TLR2 O60603 1/20 0.54
NMT2 O60551 1/20 0.54
NMT1 P30419 1/20 0.54
GLP1R P43220 5/20 0.53
PLA2G2C Q5R387 1/20 0.51

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
SCHEMBL28785969 1.00 SLC6A5 (0.70) SLC6A5NOD1FOLH1TLR2NMT2
SCHEMBL29111716 0.95 SLC6A5 (0.77) SLC6A5NOD1TLR2NMT2NMT1
SCHEMBL8929340 0.95 SLC6A5 (0.77) SLC6A5NOD1TLR2NMT2NMT1
SCHEMBL28874211 0.92 SLC6A5 (0.69) SLC6A5NOD1TLR2NMT2NMT1
SCHEMBL28874215 0.92 SLC6A5 (0.69) SLC6A5NOD1TLR2NMT2NMT1
SCHEMBL21800919 0.91 NOD1 (0.73) SLC6A5NOD1GLP1RPLA2G2C
SCHEMBL1713081 0.91 NOD1 (0.73) SLC6A5NOD1GLP1RPLA2G2C
SCHEMBL1713262 0.91 NOD1 (0.73) SLC6A5NOD1GLP1RPLA2G2C
SCHEMBL27800899 0.90 SLC6A5 (0.67) SLC6A5NOD1TLR2NMT2NMT1
SCHEMBL28580742 0.90 NOD1 (0.76) SLC6A5NOD1GLP1RPLA2G2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865208-B2 Vesicle useful for external preparation for skin, and external preparation for skin comprising the vesicle POLA CHEMICAL INDUSTRIES INC. (JP) 2014-10-21 US disclosed
US-20100172964-A1 VESICLE USEFUL FOR EXTERNAL PREPARATION FOR SKIN, AND EXTERNAL PREPARATION FOR SKIN COMPRISING THE VESICLE POLA CHEMICAL INDUSTRIES INC. (JP) 2010-07-08 US disclosed
EP-2165694-A1 VESICLE USEFUL FOR EXTERNAL PREPARATION FOR SKIN, AND EXTERNAL PREPARATION FOR SKIN COMPRISING THE VESICLE Pola Chemical Industries Inc. (JP) 2010-03-24 EP disclosed
WO-2008072717-A1 METHOD OF EVALUATING SKIN BARRIER FUNCTION, METHOD OF SCREENING MATERIAL FOR ENHANCING SKIN BARRIER FUNCTION USING THE EVALUATING METHOD, THE MATERIAL FOR ENHANCING SKIN BARRIER FUNCTION, AND COSMETIC CONTAINING THE MATERIAL FOR ENHANCING SKIN BARRIER FUNCTION POLA CHEMICAL INDUSTRIES INC. (JP) 2008-06-19 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-20100172964-A1 VESICLE USEFUL FOR EXTERNAL PREPARATION FOR SKIN, AND EXTERNAL PREPARATION FOR SKIN COMPRISING THE VESICLE DEGS1, SGMS2, CERT1 SLC6A5 2506/4885NOD1 2706/4885FOLH1 162/4885

“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.