SCHEMBL5855554

SCHEMBL5855554

NCCCC(NC(=O)Oc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.52
SIRT1 Q96EB6 3/20 0.48
ITGB3 P05106 6/20 0.46
ITGA2B P08514 6/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
SIRT2 Q8IXJ6 3/20 0.45
FOLH1 Q04609 1/20 0.43
FAAH O00519 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL5854507 1.00 SLC1A3 (0.52) SLC1A3SIRT1ITGB3ITGA2BMMP2
SCHEMBL5854503 1.00 SLC1A3 (0.52) SLC1A3SIRT1ITGB3ITGA2BMMP2
SCHEMBL5261062 0.96 SLC1A3 (0.51) SLC1A3SIRT1ITGB3ITGA2BMMP2
SCHEMBL5261067 0.96 SLC1A3 (0.51) SLC1A3SIRT1ITGB3ITGA2BMMP2
SCHEMBL29233069 0.86 SIRT1 (0.49) SLC1A3SIRT1ITGB3ITGA2BMMP2
SCHEMBL29233071 0.86 SIRT1 (0.49) SLC1A3SIRT1ITGB3ITGA2BMMP2
SCHEMBL11436844 0.85 FAAH (0.55) SLC1A3SIRT1SIRT2FAAHCYP1A2
SCHEMBL21027927 0.84 SLC1A3 (0.58) SLC1A3SIRT1ITGB3ITGA2BSIRT2
SCHEMBL25409269 0.83 TGM2 (0.47) ITGB3ITGA2BMMP2MMP9FOLH1
SCHEMBL27677380 0.83 MGLL (0.49) MMP2

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 7 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
EP-0922696-B1 Urea derivatives of alpha, omega-diaminoacids and peptides SOLVAY (BE) 2005-04-20 EP 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 SLC1A3 3925/4885SIRT1 4310/4885ITGB3 2657/4885

“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.