SCHEMBL12466711

SCHEMBL12466711

O=C(O)CCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.66
TLR2 O60603 3/20 0.56
MDM2 Q00987 6/20 0.55
MDM4 O15151 2/20 0.54
TP53 P04637 2/20 0.54
CASP3 P42574 2/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50

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
SCHEMBL30749158 1.00 KMT2A (0.66) KMT2ATLR2MDM2MDM4TP53
SCHEMBL7461050 0.99 KMT2A (0.64) KMT2ATLR2MDM2MDM4TP53
SCHEMBL30819573 0.95 KMT2A (0.62) KMT2ATLR2MDM2MDM4TP53
SCHEMBL30749111 0.95 KMT2A (0.62) KMT2ATLR2MDM2MDM4TP53
SCHEMBL19951678 0.95 KMT2A (0.62) KMT2ATLR2MDM2MDM4TP53
SCHEMBL8893047 0.94 MDM2 (0.60) KMT2ATLR2MDM2MDM4TP53
SCHEMBL8892538 0.94 MDM2 (0.60) KMT2ATLR2MDM2MDM4TP53
SCHEMBL29400089 0.91 KMT2A (0.58) KMT2ATLR2MDM2MDM4TP53
SCHEMBL29354378 0.91 KMT2A (0.58) KMT2ATLR2MDM2MDM4TP53
SCHEMBL30338216 0.91 KMT2A (0.58) KMT2ATLR2MDM2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10400010-B2 Structure-based peptide inhibitors of P53 aggregation as a new approach to cancer therapeutics THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-03 US disclosed
US-10011587-B2 Multivalent ligands targeting VEGFR THE METHODIST HOSPITAL SYSTEM (US) 2018-07-03 US disclosed
US-20180155396-A1 STRUCTURE-BASED PEPTIDE INHIBITORS OF P53 AGGREGATION AS A NEW APPROACH TO CANCER THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-06-07 US disclosed
US-9833520-B2 Labeled, non-peptidic, multivalent integrin antagonist compounds; methods for synthesis and uses thereof THE METHODIST HOSPITAL RESEARCH INSTITUTE (US) 2017-12-05 US disclosed
US-9833520-B2 Labeled, non-peptidic, multivalent integrin antagonist compounds; methods for synthesis and uses thereof THE METHODIST HOSPITAL RESEARCH INSTITUTE (US) 2017-12-05 US disclosed
US-20170073328-A1 MULTIVALENT LIGANDS TARGETING VEGFR THE METHODIST HOSPITAL SYSTEM 2017-03-16 US disclosed
WO-2015175750-A1 MULTIVALENT LIGANDS TARGETING VEGFR THE METHODIST HOSPITAL SYSTEM (US) 2015-11-19 WO disclosed
US-20140044646-A1 Labeled, Non-Peptidic, Multivalent Integrin Antagonist Compounds; Methods for Synthesis and Uses Thereof THE METHODIST HOSPITAL RESEARCH INSTITUTE (US) 2014-02-13 US disclosed
US-20140044646-A1 Labeled, Non-Peptidic, Multivalent Integrin Antagonist Compounds; Methods for Synthesis and Uses Thereof THE METHODIST HOSPITAL RESEARCH INSTITUTE (US) 2014-02-13 US disclosed
WO-2012103328-A1 LABELED, NON- PEPTIDIC MULTIVALENT INTEGRIN ALPHA -V - BETA - 3 ANTAGONISTS, COMPOSITIONS CONTAINING THEM AND THEIR USE THE METHODIST HOSPITAL RESEARCH INSTITUTE (US) 2012-08-02 WO 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 (5 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-20170073328-A1 MULTIVALENT LIGANDS TARGETING VEGFR KDR, FLT4, FLT1 KMT2A 2740/4885TLR2 867/4885MDM2 251/4885
US-20140044646-A1 Labeled, Non-Peptidic, Multivalent Integrin Antagonist Compounds; Methods for Synthesis and Uses Thereof ITGB3, ITGAV, ITGB1 KMT2A 2905/4885TLR2 1030/4885MDM2 3076/4885
US-20180155396-A1 STRUCTURE-BASED PEPTIDE INHIBITORS OF P53 AGGREGATION AS A NEW APPROACH TO CANCER THERAPEUTICS TP53, TP53BP1, API5 KMT2A 4658/4885TLR2 4867/4885MDM2 7/4885
US-10011587-B2 Multivalent ligands targeting VEGFR KDR, FLT4, FLT1 KMT2A 2740/4885TLR2 867/4885MDM2 251/4885
US-10400010-B2 Structure-based peptide inhibitors of P53 aggregation as a new approach to cancer therapeutics TP53, TP53BP1, API5 KMT2A 4658/4885TLR2 4867/4885MDM2 7/4885

“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.