SCHEMBL1105435

SCHEMBL1105435

[C-]#[N+]c1ccc(C(=O)NC(Cc2ccc(OP(=O)(O)O)cc2)C(=O)NC(CC(C)C)C(=O)NCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.53
MMP1 P03956 1/20 0.52
MMP8 P22894 1/20 0.50
STAT3 P40763 1/20 0.48

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 0.91 ATM (0.53) KLKB1MMP1
SCHEMBL10042737 0.87 KLKB1 (0.55) KLKB1
SCHEMBL13058781 0.85 PSMB5 (0.43) MMP1
SCHEMBL1105429 0.82 PSMB8 (0.50)
SCHEMBL10042739 0.78 ATM (0.53) KLKB1
SCHEMBL13058785 0.78 PSMB5 (0.52) KLKB1MMP1
SCHEMBL14485357 0.78 KLKB1 (0.70) KLKB1MMP1MMP8
SCHEMBL21669888 0.78 KLKB1 (0.70) KLKB1MMP1MMP8
SCHEMBL1109060 0.76 SYK (0.50)
SCHEMBL1109062 0.76 CTSL (0.50)

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 KLKB1 4353/4885MMP1 4347/4885MMP8 4524/4885

“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.