SCHEMBL8533429

SCHEMBL8533429

CCC(=O)N[C@H](Cc1ccccc1)C(=O)CC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.58
ACE P12821 4/20 0.52
CTSG P08311 1/20 0.52
CMA1 P23946 1/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
MMP7 P09237 1/20 0.50
CTSL P07711 1/20 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
SCHEMBL8534420 1.00 PSMB5 (0.58) PSMB5ACECTSGCMA1HDAC3
SCHEMBL23191757 0.89 CTSC (0.55) PSMB5ACECTSGCMA1HDAC3
SCHEMBL10076052 0.88 ACE (0.61) PSMB5ACE
SCHEMBL3704677 0.88 ACE (0.61) PSMB5ACE
SCHEMBL4182347 0.88 ACE (0.61) PSMB5ACE
SCHEMBL14865877 0.87 CTSS (0.60) ACEMMP1MMP2MMP3MMP7
SCHEMBL20079849 0.87 CTSS (0.60) ACEMMP1MMP2MMP3MMP7
SCHEMBL20468445 0.87 ALDH1A1 (0.60) PSMB5ACECTSLCTSBCTSS
SCHEMBL16473192 0.87 ALDH1A1 (0.60) PSMB5ACECTSLCTSBCTSS
SCHEMBL21399308 0.85 POLB (0.54) ACECTSGCMA1HDAC3HDAC4

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-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EyePoint, Inc. 2012-05-24 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-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 PSMB5 4015/4885ACE 2035/4885CTSG 493/4885

“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.