SCHEMBL4364568

SCHEMBL4364568

O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.65
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CA1 P00915 3/20 0.57
PTPN1 P18031 2/20 0.56
BACE1 P56817 2/20 0.55
MME P08473 1/20 0.54
CTSL P07711 1/20 0.54
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
ACE P12821 1/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL27679115 1.00 CA2 (0.65) CA2NPC1RAB9ATP53SMN1; SMN2
SCHEMBL27659000 0.93 CA2 (0.67) CA2NPC1RAB9ATP53SMN1; SMN2
SCHEMBL4366751 0.93 CA2 (0.67) CA2NPC1RAB9ATP53SMN1; SMN2
SCHEMBL7442014 0.90 CA2 (0.74) CA2NPC1RAB9ATP53SMN1; SMN2
SCHEMBL7442005 0.90 CA2 (0.74) CA2NPC1RAB9ATP53SMN1; SMN2
SCHEMBL4356215 0.90 RAB9A (0.58) CA2NPC1RAB9ATP53SMN1; SMN2
SCHEMBL4369236 0.87 CTSL (0.67) CA2CA1PTPN1MMECTSL
SCHEMBL11582248 0.87 CTSL (0.67) CA2CA1PTPN1MMECTSL
SCHEMBL13669589 0.87 CTSL (0.67) CA2CA1PTPN1MMECTSL
SCHEMBL28760302 0.87 CTSL (0.67) CA2CA1PTPN1MMECTSL

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-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF The Key Lab. Of Chemistry for Natural Products of Guizhou Province and Chinese Acad. of Sciences (CN) 2009-10-01 US claimed
US-9023809-B2 Phenylalanine dipeptide derivatives, compositions and use thereof THE KEY LABORATORY OF CHEMISTRY FOR NATURAL PRODUCTS OF GUIZHOU PROVINCE AND CHINESE ACADEMY OF SCIENCES (CN) 2015-05-05 US disclosed
US-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF The Key Lab. Of Chemistry for Natural Products of Guizhou Province and Chinese Acad. of Sciences (CN) 2009-10-01 US disclosed
CN-100480234-C N-(N-benzoyl-phenylalanyl)-phenylalanine dipeptide derivative, and preparing method and use thereof KEY LAB OF CHEMISTRY FOR NATUR (CN) 2009-04-22 CN disclosed
CN-1935779-A N-(N-benzoyl-phenylalanyl)-phenylalanine dipeptide derivative, and its preparing method and use NATURAL PRODUCT CHEMISTRY KEY (CN) 2007-03-28 CN 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-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF DNPEP, PEPD, VIP CA2 4136/4885NPC1 1535/4885RAB9A 2865/4885

“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.