SCHEMBL8237369

SCHEMBL8237369

CCCCC(=O)NCC(N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.49
P2RY10 O00398 1/20 0.46
GPR174 Q9BXC1 1/20 0.46
FAAH O00519 3/20 0.46
ASAH1 Q13510 1/20 0.45
DDAH1 O94760 1/20 0.45
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
SLC1A3 P43003 1/20 0.44
GFPT1 Q06210 1/20 0.44
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 2/20 0.43
PSMB5 P28074 1/20 0.42

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
SCHEMBL16860714 1.00 NOD1 (0.49) NOD1P2RY10GPR174FAAHASAH1
SCHEMBL29215257 0.95 NOD1 (0.55) NOD1P2RY10GPR174FAAHASAH1
SCHEMBL16860735 0.95 NOD1 (0.55) NOD1P2RY10GPR174FAAHASAH1
SCHEMBL29215544 0.93 NOD1 (0.57) NOD1P2RY10GPR174FAAHASAH1
SCHEMBL16860733 0.93 NOD1 (0.57) NOD1P2RY10GPR174FAAHASAH1
SCHEMBL25284318 0.93 NOD1 (0.57) NOD1P2RY10GPR174FAAHASAH1
SCHEMBL29215585 0.93 NOD1 (0.57) NOD1P2RY10GPR174FAAHASAH1
SCHEMBL8240378 0.93 NOD1 (0.57) NOD1P2RY10GPR174FAAHASAH1
SCHEMBL25052917 0.93 NOD1 (0.57) NOD1P2RY10GPR174FAAHASAH1
SCHEMBL29875541 0.93 NOD1 (0.57) NOD1P2RY10GPR174FAAHASAH1

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-7576175-B2 Amino acid terminated diphenylurea derivatives; display high binding affinity, specificity, and stability; use in treating cancer, inflammatory diseases, and autoimmune diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-18 US disclosed
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 US 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-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy ITGA4, ITGB4, ITGA1 NOD1 290/4885P2RY10 1128/4885GPR174 509/4885

“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.