SCHEMBL7615217

SCHEMBL7615217

CCCCSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 4/20 0.48
TP53 P04637 1/20 0.45
BIRC2 Q13490 1/20 0.45
MMP2 P08253 9/20 0.44
MMP1 P03956 4/20 0.44
MMP3 P08254 4/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CTSB P07858 1/20 0.43

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
SCHEMBL7610347 0.89 L3MBTL1 (0.49) PSMB5HDAC3HDAC4HDAC1HDAC2
SCHEMBL7612584 0.85 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL3701701 0.83 PSMB5 (0.50) PSMB5TP53HDAC3HDAC4HDAC1
SCHEMBL7617954 0.83 PSMB5 (0.50) PSMB5TP53HDAC3HDAC4HDAC1
SCHEMBL7620286 0.83 CYP1A2 (0.44)
SCHEMBL7614816 0.82 ACE (0.53) PSMB5HDAC3HDAC4HDAC1HDAC2
SCHEMBL5020125 0.81 PSMB5 (0.55) PSMB5TP53HDAC3HDAC4HDAC1
SCHEMBL9487298 0.80 TP53 (0.61) PSMB5TP53
SCHEMBL9487303 0.80 TP53 (0.61) PSMB5TP53
SCHEMBL5020128 0.78 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC2HDAC8

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-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2012-05-17 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-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP PSMB5 1294/4885TP53 511/4885BIRC2 531/4885

“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.