SCHEMBL436240

SCHEMBL436240

C=CN(CC(=O)OC)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
FABP5 Q01469 3/20 0.41
EPHX2 P34913 1/20 0.41
FABP7 O15540 2/20 0.40
CASP3 P42574 3/20 0.40
CYP2D6 P10635 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL4381269 0.77 KMT2A (0.48) KMT2AFABP5EPHX2FABP7CASP3
Hydrochloric Acid SCHEMBL8631515 0.76 KMT2A (0.47) KMT2AFABP5EPHX2FABP7CASP3
SCHEMBL377644 0.76 KMT2A (0.42) KMT2AFABP5EPHX2FABP7CASP3
SCHEMBL3171599 0.76 KMT2A (0.42) KMT2AFABP5EPHX2FABP7CASP3
SCHEMBL10349779 0.76 ABCB1 (0.48) KMT2A
SCHEMBL24579182 0.75 NPSR1 (0.42) KMT2AFABP5EPHX2FABP7CASP3
SCHEMBL175500 0.75 FABP5 (0.43) KMT2AFABP5EPHX2FABP7CASP3
SCHEMBL5575208 0.74 KMT2A (0.44) KMT2AFABP5EPHX2FABP7CASP3
SCHEMBL10037319 0.74 KMT2A (0.51) KMT2AFABP5EPHX2FABP7CASP3
SCHEMBL30584150 0.74 KMT2A (0.51) KMT2AFABP5EPHX2FABP7CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101257-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS UNIVERSITE DE MONTREAL (CA) 2012-04-26 US disclosed
EP-2408759-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS Valorisation-Recherche, Société en Commandite (CA) 2012-01-25 EP disclosed
WO-2010105367-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS VALORISATION-RECHERCHE SOCIETE EN COMMANDITE (CA) 2010-09-23 WO disclosed
WO-2010106441-A2 PEPTIDOMIMETICS FOR MODULATING INTERLEUKIN-1 RECEPTOR CENTRE HOSPITALIER UNIVERSITAIRE SAINTE-JUSTINE (CA) 2010-09-23 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 (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-20120101257-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS QPCT, GLUL, ASNS KMT2A 4277/4885FABP5 3472/4885EPHX2 4414/4885

“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.