SCHEMBL3366485

SCHEMBL3366485

CCCC(N)N.NC(=O)CC[C@H](NCCCO)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.46
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
GRIK1 P39086 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
GRIK2 Q13002 1/20 0.34
GGT1 P19440 1/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL27546911 1.00 NOD1 (0.46) NOD1ITGB3ITGA2BKMT2AALOX15
SCHEMBL27520098 0.96 NOD1 (0.48) NOD1ITGB3ITGA2BKMT2AALOX15
SCHEMBL3362076 0.96 NOD1 (0.48) NOD1ITGB3ITGA2BKMT2AALOX15
SCHEMBL27546900 0.92 NOD1 (0.42) NOD1ITGB3ITGA2BKMT2AALOX15
SCHEMBL3364090 0.92 NOD1 (0.42) NOD1ITGB3ITGA2BKMT2AALOX15
SCHEMBL9724019 0.88 KMT2A (0.42) NOD1KMT2AALOX15BLMPMP22
SCHEMBL1002209 0.88 KMT2A (0.42) NOD1KMT2AALOX15BLMPMP22
SCHEMBL7759622 0.84 NOD1 (0.57) NOD1ITGB3ITGA2BKMT2AALOX15
SCHEMBL3652208 0.84 NOD1 (0.44) NOD1ITGB3ITGA2BKMT2AALOX15
SCHEMBL7759612 0.84 NOD1 (0.57) NOD1ITGB3ITGA2BKMT2AALOX15

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-20100145018-A1 Lipid-Polymer-Conjugates ASTELLAS PHARMA EUROPE BV (NL) 2010-06-10 US disclosed
EP-1392755-B1 LIPID-POLYMER-CONJUGATES COMPOSITIONS ASTELLAS PHARMA EUROP B V (NL) 2008-12-03 EP disclosed
EP-1392756-B1 LIPID-POLYMER-CONJUGATES ASTELLAS PHARMA EUROP B V (NL) 2007-02-14 EP disclosed
US-20040241222-A1 Lipid-polymer-conjugates compositions ASTELLAS PHARMA EUROPE B.V. (NL) 2004-12-02 US disclosed
EP-1392755-A1 LIPID-POLYMER-CONJUGATES COMPOSITIONS YAMANOUCHI EUROPE B.V. (NL) 2004-03-03 EP disclosed
EP-1392756-A2 LIPID-POLYMER-CONJUGATES Yamanouchi Europe B.V. (NL) 2004-03-03 EP disclosed
WO-2002098952-A1 LIPID-POLYMER-CONJUGATES COMPOSITIONS YAMANOUCHI EUROPE B.V. (NL) 2002-12-12 WO disclosed
WO-2002098951-A2 LIPID-POLYMER-CONJUGATES YAMANOUCHI EUROPE B.V. (NL) 2002-12-12 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 (2 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-20100145018-A1 Lipid-Polymer-Conjugates PARG, GLUL, PHOSPHO1 NOD1 4449/4885ITGB3 2109/4885ITGA2B 2339/4885
US-20040241222-A1 Lipid-polymer-conjugates compositions PHOSPHO1, PARG, GLUL NOD1 4350/4885ITGB3 2192/4885ITGA2B 2277/4885

“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.