SCHEMBL2632350

SCHEMBL2632350

O=C(NS(=O)(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
EPHX2 P34913 1/20 0.54
CASP3 P42574 4/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
FABP7 O15540 2/20 0.47
FABP5 Q01469 2/20 0.47
MDM4 O15151 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL6673820 0.87 KMT2A (0.64) KMT2AEPHX2CASP3CA1CA2
SCHEMBL21332462 0.82 KMT2A (0.66) KMT2AEPHX2CASP3CA1CA2
SCHEMBL30238049 0.81 KMT2A (0.64) KMT2AEPHX2CASP3CA1CA2
SCHEMBL1800381 0.81 KMT2A (0.64) KMT2AEPHX2CASP3CA1CA2
SCHEMBL13613350 0.80 KMT2A (0.72) KMT2AEPHX2CASP3CA1CA2
SCHEMBL3757636 0.80 KMT2A (0.72) KMT2AEPHX2CASP3CA1CA2
SCHEMBL402111 0.80 KMT2A (0.68) KMT2AEPHX2CASP3CA1CA2
SCHEMBL29839653 0.80 KMT2A (0.53) KMT2AEPHX2CASP3CA1CA2
SCHEMBL12866016 0.80 KMT2A (0.62) KMT2AEPHX2CASP3CA1CA2
SCHEMBL31031957 0.80 KMT2A (0.67) KMT2AEPHX2CASP3CA1CA2

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 1 patent. 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

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 4277/4885EPHX2 4414/4885CASP3 4203/4885

“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.