SCHEMBL5855445

SCHEMBL5855445

CCCCCOC(=O)NC(CCCN)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 9/20 0.52
SLC6A5 Q9Y345 1/20 0.49
EPHX1 P07099 1/20 0.46
TLR2 O60603 2/20 0.44
FOLH1 Q04609 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 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
SCHEMBL5855451 1.00 NOD1 (0.52) NOD1SLC6A5EPHX1TLR2FOLH1
SCHEMBL8466972 1.00 NOD1 (0.52) NOD1SLC6A5EPHX1TLR2FOLH1
SCHEMBL8760314 0.99 NOD1 (0.54) NOD1SLC6A5EPHX1TLR2ITGB3
SCHEMBL9716662 0.95 NOD1 (0.47) NOD1SLC6A5FOLH1ITGB3ITGA2B
SCHEMBL6688677 0.95 NOD1 (0.47) NOD1SLC6A5FOLH1ITGB3ITGA2B
SCHEMBL6688681 0.95 NOD1 (0.47) NOD1SLC6A5FOLH1ITGB3ITGA2B
SCHEMBL30915502 0.94 SLC6A5 (0.56) NOD1SLC6A5EPHX1TLR2FOLH1
SCHEMBL7803299 0.94 SLC6A5 (0.56) NOD1SLC6A5EPHX1TLR2FOLH1
SCHEMBL7804980 0.94 SLC6A5 (0.56) NOD1SLC6A5EPHX1TLR2FOLH1
SCHEMBL7797291 0.94 SLC6A5 (0.56) NOD1SLC6A5EPHX1TLR2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030214-B2 Ureins derived from α, ω, diamino acids and process for their preparation SOLVAY (SOCIETE ANONYME) (BE) 2006-04-18 US disclosed
US-20020058784-A1 Ureins derived from alpha, omega, -diamond acids and process for their preparation CALLENS ROLAND (BE) 2002-05-16 US disclosed
US-6310178-B1 AS THE N-TERMINAL RESIDUE OF BIOLOGICALLY ACTIVE PEPTIDES, E.G, THYROTROPIN RELEASING HORMONE (BY REPLACING THE N-TERMINAL PYROGLUTAMYL GROUP); IMPARTING INCREASED RESISTANCE TO PROTEOLYTIC DIGESTION SOLVAY, S.A. (BE) 2001-10-30 US disclosed
EP-0629612-B1 Process for the preparation of ureas derived from alpha, omega-diaminoacids SOLVAY (BE) 1999-12-01 EP disclosed
EP-0922696-A2 Urea derivatives of alpha, omega-diaminoacids and peptides SOLVAY (Société Anonyme) (BE) 1999-06-16 EP disclosed
EP-0629612-A1 Ureas derived from alpha, omega-diaminoacids and process for their preparation SOLVAY (Société Anonyme) (BE) 1994-12-21 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-20020058784-A1 Ureins derived from alpha, omega, -diamond acids and process for their preparation UPP1, URB2, UFM1 NOD1 2264/4885SLC6A5 4769/4885EPHX1 1259/4885

“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.