SCHEMBL557483

SCHEMBL557483

CC(N)C[C@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
FABP5 Q01469 3/20 0.46
FABP7 O15540 2/20 0.46
CASP3 P42574 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
EPHX2 P34913 1/20 0.41
MDM4 O15151 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL556888 1.00 KMT2A (0.47) KMT2AFABP5FABP7CASP3CA1
SCHEMBL6377107 0.87 KMT2A (0.45) KMT2AFABP5FABP7CASP3CA1
SCHEMBL7391410 0.83 KMT2A (0.49) KMT2AFABP5FABP7CASP3CA1
SCHEMBL7389338 0.83 KMT2A (0.49) KMT2AFABP5FABP7CASP3CA1
SCHEMBL7393490 0.83 KMT2A (0.49) KMT2AFABP5FABP7CASP3CA1
SCHEMBL7198855 0.83 KMT2A (0.44) KMT2AFABP5FABP7CA1CA2
SCHEMBL1829604 0.83 FABP5 (0.50) KMT2AFABP5FABP7CASP3CA1
SCHEMBL1829602 0.83 FABP5 (0.50) KMT2AFABP5FABP7CASP3CA1
SCHEMBL1162471 0.83 KMT2A (0.55) KMT2AFABP5FABP7CASP3CA1
SCHEMBL7037298 0.83 KMT2A (0.54) KMT2AFABP5FABP7CASP3CA1

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-8841257-B2 Inhibitors of STAT3 and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-23 US disclosed
US-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-09 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-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF STAT3, JAK2, STAT6 KMT2A 2506/4885FABP5 2080/4885FABP7 1427/4885

“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.