SCHEMBL178804

SCHEMBL178804

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

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.60
▸ MDM4 O15151 2/20 0.57
▸ TP53 P04637 2/20 0.57
▸ TLR2 O60603 2/20 0.54
▸ MDM2 Q00987 4/20 0.53
▸ CASP3 P42574 2/20 0.52

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
SCHEMBL3487948 1.00 KMT2A (0.60) KMT2AMDM4TP53TLR2MDM2
SCHEMBL29401303 1.00 KMT2A (0.60) KMT2AMDM4TP53TLR2MDM2
SCHEMBL29528781 1.00 KMT2A (0.60) KMT2AMDM4TP53TLR2MDM2
SCHEMBL178805 1.00 KMT2A (0.60) KMT2AMDM4TP53TLR2MDM2
SCHEMBL3197099 0.94 MDM2 (0.54) KMT2AMDM4TP53TLR2MDM2
SCHEMBL29398472 0.93 KMT2A (0.54) KMT2AMDM4TP53TLR2MDM2
SCHEMBL29401297 0.93 KMT2A (0.54) KMT2AMDM4TP53TLR2MDM2
SCHEMBL20556494 0.93 KMT2A (0.54) KMT2AMDM4TP53TLR2MDM2
SCHEMBL20556492 0.93 KMT2A (0.54) KMT2AMDM4TP53TLR2MDM2
SCHEMBL178808 0.93 KMT2A (0.54) KMT2AMDM4TP53TLR2MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015023898-A1 LINEAR PEPTIDE ANTIBIOTCS RQX PHARMACEUTICALS, INC. (US) 2015-02-19 — — WO disclosed
US-8895231-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-25 — — US disclosed
US-20130237685-A1 LINEAR ASSEMBLIES, BRANCHED ASSEMBLIES, MACROCYCLES AND COVALENT BUNDLES OF FUNCTIONALIZED BIS-PEPTIDES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2013-09-12 — — US disclosed
WO-2012158200-A1 LINEAR ASSEMBLIES BRANCHED ASSEMBLIES, MACROCYCLES AND COVALENT BUNDLES OF FUNCTIONALIZED BIS-PEPTIDES TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-11-22 — — WO disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 — — 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-20130237685-A1 LINEAR ASSEMBLIES, BRANCHED ASSEMBLIES, MACROCYCLES AND COVALENT BUNDLES OF FUNCTIONALIZED BIS-PEPTIDES VIP, FHIT, FGB KMT2A 3688/4885MDM4 896/4885TP53 730/4885

“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.

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