SCHEMBL4359076

SCHEMBL4359076

CCC(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
CA2 P00918 2/20 0.54
ACE P12821 2/20 0.54
CA1 P00915 2/20 0.54
USP30 Q70CQ3 1/20 0.53
POLB P06746 1/20 0.53
BLM P54132 1/20 0.53
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CTSL P07711 2/20 0.52
CTSS P25774 2/20 0.52
CTSK P43235 2/20 0.52
CTSB P07858 1/20 0.52
ALDH1A1 P00352 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
SCHEMBL4359256 0.97 ACE (0.56) PTPN1L3MBTL1CA2ACECA1
SCHEMBL4368412 0.90 GAA (0.62) L3MBTL1CA2CA1USP30POLB
SCHEMBL4363983 0.88 PTPN1 (0.58) PTPN1L3MBTL1CA2ACECA1
SCHEMBL4360114 0.87 GAA (0.58) L3MBTL1CA2ACECA1USP30
SCHEMBL4359098 0.85 PTPN1 (0.57) PTPN1CA2ACECA1CYP1A2
SCHEMBL4358972 0.85 PTPN1 (0.57) PTPN1CA2ACECA1CYP1A2
SCHEMBL4362376 0.85 GAA (0.56) L3MBTL1CA2CA1USP30POLB
SCHEMBL27679117 0.84 L3MBTL1 (0.64) PTPN1L3MBTL1CA2ACECA1
SCHEMBL4357736 0.84 ACE (0.68) PTPN1L3MBTL1CA2ACECA1
SCHEMBL4356229 0.84 ACE (0.68) PTPN1L3MBTL1CA2ACECA1

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 3 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

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 1817/4885L3MBTL1 636/4885CA2 4136/4885

“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.