SCHEMBL557482

SCHEMBL557482

C[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
CASP3 P42574 4/20 0.55
PTPN1 P18031 3/20 0.52
MDM4 O15151 1/20 0.47
TP53 P04637 1/20 0.47
EPHX2 P34913 1/20 0.47

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
SCHEMBL557820 1.00 KMT2A (0.58) KMT2ACASP3PTPN1MDM4TP53
SCHEMBL556887 1.00 KMT2A (0.58) KMT2ACASP3PTPN1MDM4TP53
SCHEMBL8882675 0.91 KMT2A (0.66) KMT2ACASP3PTPN1
SCHEMBL12291725 0.89 KMT2A (0.52) KMT2ACASP3PTPN1MDM4TP53
SCHEMBL30670318 0.87 CASP3 (0.64) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL29400419 0.87 CASP3 (0.64) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL7391100 0.87 CASP3 (0.64) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL3195920 0.87 CASP3 (0.64) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL29511466 0.87 CASP3 (0.64) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL119717 0.87 CASP3 (0.64) KMT2ACASP3MDM4TP53EPHX2

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 2506/4885CASP3 1071/4885PTPN1 500/4885

“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.