SCHEMBL13673425

SCHEMBL13673425

CCOc1ccc(C[C@@H](CC(=O)OC)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.65
▸ RAB9A P51151 1/20 0.65
▸ KLKB1 P03952 13/20 0.58
▸ ACACB O00763 1/20 0.54
▸ HDAC3 O15379 1/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ HDAC9 Q9UKV0 1/20 0.52
▸ HDAC5 Q9UQL6 1/20 0.52
▸ KLK1 P06870 1/20 0.50
▸ CTSL P07711 2/20 0.49
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49

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
SCHEMBL13673291 0.90 CTSL (0.58) GAARAB9ACTSLCTSSCTSK
SCHEMBL13673427 0.87 CTSL (0.60) GAARAB9AKLKB1CTSLCTSS
SCHEMBL13669587 0.85 GAA (0.85) GAARAB9AKLKB1ACACBHDAC3
SCHEMBL22604589 0.85 GAA (0.85) GAARAB9AKLKB1ACACBHDAC3
SCHEMBL22604588 0.85 GAA (0.85) GAARAB9AKLKB1ACACBHDAC3
SCHEMBL22604586 0.85 GAA (0.69) GAARAB9AKLKB1ACACBKLK1
SCHEMBL4359888 0.85 GAA (0.69) GAARAB9AKLKB1ACACBKLK1
SCHEMBL27679113 0.85 GAA (0.69) GAARAB9AKLKB1ACACBKLK1
SCHEMBL22604660 0.83 KLKB1 (0.68) GAARAB9AKLKB1ACACBKLK1
SCHEMBL22604665 0.81 GAA (0.91) GAARAB9AKLKB1ACACBHDAC3

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 1 patent. 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 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 2865/4885KLKB1 1426/4885

“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.

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