SCHEMBL4369316

SCHEMBL4369316

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

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.63
CA2 P00918 4/20 0.62
PTPN1 P18031 3/20 0.62
CA1 P00915 2/20 0.60
ACE P12821 2/20 0.56
CTSB P07858 2/20 0.55
MME P08473 1/20 0.55
CTSS P25774 2/20 0.54
CTSK P43235 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PYGL P06737 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL27679107 0.99 CTSL (0.64) CTSLCA2PTPN1CA1ACE
SCHEMBL4359915 0.99 CTSL (0.64) CTSLCA2PTPN1CA1ACE
SCHEMBL22604693 0.95 CA2 (0.62) CTSLCA2PTPN1CA1ACE
SCHEMBL1305154 0.93 PTPN1 (0.70) CTSLCA2PTPN1CA1ACE
SCHEMBL8510030 0.93 PTPN1 (0.70) CTSLCA2PTPN1CA1ACE
SCHEMBL4356229 0.89 ACE (0.68) CTSLCA2PTPN1CA1ACE
SCHEMBL4357736 0.89 ACE (0.68) CTSLCA2PTPN1CA1ACE
SCHEMBL4364597 0.88 PTPN1 (0.64) CTSLCA2PTPN1CA1ACE
SCHEMBL4369314 0.87 CTSL (0.58) CTSLCA2PTPN1CA1CTSB
SCHEMBL7904964 0.86 CA2 (0.69) CA2PTPN1CA1ACECTSB

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 CTSL 591/4885CA2 4136/4885PTPN1 1817/4885

“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.