SCHEMBL1105429

SCHEMBL1105429

[C-]#[N+]c1ccc(C(=O)NC(Cc2ccc(OP(=O)(O)O)cc2)C(=O)NC(CC(C)C)C(=O)Nc2cccc(OC)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.50
PSMB1 P20618 1/20 0.47
PSMB2 P49721 1/20 0.47
GRB2 P62993 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL1105437 0.89 ATM (0.53) GRB2
SCHEMBL10042738 0.88 PSMB8 (0.50) PSMB8PSMB1PSMB2GRB2HDAC3
SCHEMBL31248331 0.88 PSMB8 (0.50) PSMB8PSMB1PSMB2GRB2HDAC3
SCHEMBL1105435 0.82 KLKB1 (0.53)
SCHEMBL13058781 0.82 PSMB5 (0.43) GRB2
SCHEMBL10042643 0.79 GRB2 (0.47) PSMB8PSMB1PSMB2GRB2
SCHEMBL10042652 0.79 GRB2 (0.47) PSMB8PSMB1PSMB2GRB2
SCHEMBL1109062 0.78 CTSL (0.50) PSMB8PSMB1PSMB2HDAC3HDAC4
SCHEMBL10042739 0.77 ATM (0.53) GRB2
SCHEMBL13058785 0.71 PSMB5 (0.52)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153596-B2 Use of SH2 STAT3/STAT1 peptidomimetics as anticancer drugs UNIVERSITY OF SOUTH FLORIDA (US) 2012-04-10 US disclosed
US-20090318367-A1 Use of SH2 STAT3/STAT1 Peptidomimetics as Anticancer Drugs UNIVERSITY OF SOUTH FLORIDA (US) 2009-12-24 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-20090318367-A1 Use of SH2 STAT3/STAT1 Peptidomimetics as Anticancer Drugs STAT3, STAT1, STAT4 PSMB8 3340/4885PSMB1 2561/4885PSMB2 2767/4885

“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.