SCHEMBL4364597

SCHEMBL4364597

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(O)cc1.[NaH]

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.64
CA2 P00918 3/20 0.62
CA1 P00915 2/20 0.62
MME P08473 2/20 0.61
CTSL P07711 3/20 0.60
ACE P12821 4/20 0.57
CTSS P25774 2/20 0.55
CTSK P43235 2/20 0.55
CTSB P07858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL4359080 0.96 CTSL (0.66) PTPN1CA2CA1MMECTSL
SCHEMBL28760302 0.95 CTSL (0.67) PTPN1CA2CA1MMECTSL
SCHEMBL13669589 0.95 CTSL (0.67) PTPN1CA2CA1MMECTSL
SCHEMBL4369236 0.95 CTSL (0.67) PTPN1CA2CA1MMECTSL
SCHEMBL11582248 0.95 CTSL (0.67) PTPN1CA2CA1MMECTSL
SCHEMBL4360734 0.95 CTSL (0.67) PTPN1CA2CA1MMECTSL
SCHEMBL11583747 0.93 CTSL (0.66) PTPN1CA2CA1MMECTSL
SCHEMBL11583740 0.93 CTSL (0.66) PTPN1CA2CA1MMECTSL
SCHEMBL8520566 0.93 PTPN1 (0.72) PTPN1CA2CA1MMECTSL
SCHEMBL3497780 0.93 PTPN1 (0.72) PTPN1CA2CA1MMECTSL

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 PTPN1 1817/4885CA2 4136/4885CA1 3382/4885

“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.