SCHEMBL3081598

SCHEMBL3081598

COC(=O)[C@@H](N)CCCCO[C@@H]([C@H](O)[C@H](O)C(N)=O)[C@@H](OCCCC[C@H](N)C(=O)OC)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 2/20 0.34
TLR2 O60603 2/20 0.31

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
SCHEMBL3061763 0.85 DDAH1 (0.42) DDAH1
SCHEMBL3061747 0.77 TLR2 (0.32) TLR2
SCHEMBL3087110 0.77
SCHEMBL3077340 0.75 PGD (0.31)
SCHEMBL3080212 0.75 PGD (0.31)
SCHEMBL16330498 0.72 ZDHHC7 (0.45) DDAH1
SCHEMBL7365991 0.71 DDAH1 (0.41) DDAH1TLR2
SCHEMBL27405457 0.71 ZDHHC7 (0.48) DDAH1
SCHEMBL27405459 0.71 ZDHHC7 (0.48) DDAH1
SCHEMBL3081601 0.70 NOS3 (0.31) DDAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790926-B2 Alpha, omega-difunctional aldaramides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-07 US disclosed
US-7351862-B2 Alpha, omega-difunctional aldaramides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-04-01 US disclosed
EP-1853554-A2 ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-11-14 EP disclosed
US-20060258886-A1 Alpha, omega-difuctional aldaramides E. I. DU PONT DE NEMOURS AND COMPANY 2006-11-16 US disclosed
WO-2006091902-A2 ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-08-31 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-20060258886-A1 Alpha, omega-difuctional aldaramides FADS2, FASN, DEGS1 DDAH1 44/4885TLR2 2936/4885

“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.