SCHEMBL4366751

SCHEMBL4366751

O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.67
NPC1 O15118 1/20 0.61
TP53 P04637 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PTPN1 P18031 2/20 0.57
BACE1 P56817 2/20 0.56
ACE P12821 2/20 0.55
CA1 P00915 1/20 0.55
CTSL P07711 3/20 0.53
CTSS P25774 2/20 0.53
CTSK P43235 2/20 0.53
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CTSB P07858 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
SCHEMBL27659000 1.00 CA2 (0.67) CA2NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4364568 0.93 CA2 (0.65) CA2NPC1TP53RAB9ASMN1; SMN2
SCHEMBL27679115 0.93 CA2 (0.65) CA2NPC1TP53RAB9ASMN1; SMN2
SCHEMBL7442005 0.91 CA2 (0.74) CA2NPC1TP53RAB9ASMN1; SMN2
SCHEMBL7442014 0.91 CA2 (0.74) CA2NPC1TP53RAB9ASMN1; SMN2
SCHEMBL6800540 0.91 NPC1 (0.59) CA2NPC1TP53RAB9ASMN1; SMN2
SCHEMBL6800534 0.91 NPC1 (0.59) CA2NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4368609 0.89 RAB9A (0.60) CA2NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4366623 0.87 LMNA (0.63) CA2NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4365720 0.87 LMNA (0.63) CA2NPC1TP53RAB9ASMN1; SMN2

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 1535/4885TP53 932/4885

“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.