SCHEMBL4359256

SCHEMBL4359256

CCC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.56
PTPN1 P18031 2/20 0.55
CTSL P07711 4/20 0.54
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
USP30 Q70CQ3 2/20 0.52
PSMB5 P28074 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
CA2 P00918 2/20 0.50

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
SCHEMBL4359076 0.97 PTPN1 (0.56) ACEPTPN1CTSLCTSSCTSK
SCHEMBL4360114 0.90 GAA (0.58) ACECTSLCTSSCTSKHDAC3
SCHEMBL4358972 0.88 PTPN1 (0.57) ACEPTPN1CTSLCTSSCTSK
SCHEMBL4359098 0.88 PTPN1 (0.57) ACEPTPN1CTSLCTSSCTSK
SCHEMBL4368412 0.87 GAA (0.62) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL4356229 0.85 ACE (0.68) ACEPTPN1CTSLCTSSCTSK
SCHEMBL4357736 0.85 ACE (0.68) ACEPTPN1CTSLCTSSCTSK
SCHEMBL4363983 0.85 PTPN1 (0.58) ACEPTPN1CTSLCTSSCTSK
SCHEMBL27658976 0.84 L3MBTL1 (0.60) ACEPTPN1CTSLCTSSCTSK
SCHEMBL4362376 0.84 GAA (0.56) CTSLHDAC3HDAC4HDAC1HDAC7

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 ACE 75/4885PTPN1 1817/4885CTSL 591/4885

“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.