SCHEMBL13137482

SCHEMBL13137482

O=C(CONC(=O)OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
EPHX2 P34913 1/20 0.43
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
CASP3 P42574 2/20 0.37
FABP7 O15540 1/20 0.37
FABP5 Q01469 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
PIN1 Q13526 1/20 0.36
OPRD1 P41143 1/20 0.36
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
SCHEMBL15947621 0.90 KMT2A (0.48) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL30242843 0.85 KMT2A (0.60) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL3727338 0.85 KMT2A (0.60) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL29400248 0.84 KMT2A (0.50) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL31309889 0.84 KMT2A (0.50) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL10661146 0.84 KMT2A (0.50) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL30905361 0.82 KMT2A (0.56) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL31603929 0.82 KMT2A (0.56) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL15692103 0.82 KMT2A (0.56) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL13930525 0.81 KMT2A (0.47) KMT2AEPHX2MDM4TP53DPP8

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
CN-113348181-A DC-SIGN antibody conjugates comprising a STING agonist 诺华股份有限公司 2021-09-03 CN disclosed
US-20100221749-A1 THREE-FUNCTIONAL PSEUDO-PEPTIDIC REAGENT, AND USES AND APPLICATIONS THEREOF UNIVERSITE DE ROUEN 2010-09-02 US disclosed
US-20100221749-A1 THREE-FUNCTIONAL PSEUDO-PEPTIDIC REAGENT, AND USES AND APPLICATIONS THEREOF UNIVERSITE DE ROUEN 2010-09-02 US disclosed
WO-2009043986-A1 THREE-FUNCTIONAL PSEUDO-PEPTIDIC REAGENT, AND USES AND APPLICATIONS THEREOF UNIVERSITE DE ROUEN (FR) 2009-04-09 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-20100221749-A1 THREE-FUNCTIONAL PSEUDO-PEPTIDIC REAGENT, AND USES AND APPLICATIONS THEREOF DNPEP, PEPD, LNPEP KMT2A 3483/4885EPHX2 1352/4885MDM4 3481/4885

“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.