SCHEMBL4362376

SCHEMBL4362376

CCC(=O)Nc1ccc(C[C@H](NC(=O)c2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
CTSL P07711 2/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
NOS2 P35228 1/20 0.49
USP30 Q70CQ3 3/20 0.48
PYGL P06737 1/20 0.48
ALDH1A1 P00352 3/20 0.47

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
SCHEMBL4368412 0.94 GAA (0.62) GAARAB9AKMT2ACTSLHDAC3
SCHEMBL4360114 0.93 GAA (0.58) GAARAB9AKMT2ACTSLHDAC3
SCHEMBL22604594 0.88 GAA (0.61) GAARAB9ACTSLNOS2PYGL
SCHEMBL22604694 0.88 GAA (0.61) GAARAB9ACTSLNOS2PYGL
SCHEMBL4359032 0.87 SSTR3 (0.57) GAARAB9AHDAC3HDAC4HDAC1
SCHEMBL4363645 0.87 GAA (0.58) GAARAB9ACTSLHDAC3HDAC4
SCHEMBL4373087 0.86 TSHR (0.61) GAARAB9ACTSLNOS2PYGL
SCHEMBL4359076 0.85 PTPN1 (0.56) RAB9ACTSLUSP30ALDH1A1CYP2C9
SCHEMBL28603072 0.84 GAA (0.71) GAARAB9ACTSLNOS2PYGL
SCHEMBL4359256 0.84 ACE (0.56) RAB9ACTSLHDAC3HDAC4HDAC1

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 GAA 407/4885RAB9A 2865/4885KMT2A 2393/4885

“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.