SCHEMBL3084980

SCHEMBL3084980

NC(=O)[C@@H](O)[C@@H](O)[C@H](OCc1ccc(N)cc1)[C@@H](OCc1ccc(N)cc1)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 6/20 0.37
SLC1A2 P43004 6/20 0.37
SLC1A1 P43005 6/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOB P27338 1/20 0.30
APP P05067 1/20 0.30
PARP10 Q53GL7 1/20 0.30

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
SCHEMBL3078974 1.00 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL3070733 0.75 MET (0.39) CYP2C19KMT2AMAOB
SCHEMBL11590352 0.74 SLC1A2 (0.53) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7792930 0.71 IDO1 (0.44) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7977999 0.70 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL31103849 0.69 SLC1A1 (0.48) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL3077340 0.68 PGD (0.31)
SCHEMBL3080212 0.68 PGD (0.31)
SCHEMBL7347112 0.68 PARP10 (0.40) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7789772 0.68 MAOB (0.40) SLC1A3SLC1A2SLC1A1MEN1CYP1A2

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-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-1858955-A1 PROCESSES USING ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES AS MONOMERS AND CROSSLINKERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-11-28 EP 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
WO-2006091901-A1 PROCESSES USING ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES AS MONOMERS AND CROSSLINKERS 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 SLC1A3 1489/4885SLC1A2 1438/4885SLC1A1 1436/4885

“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.