SCHEMBL13878682

SCHEMBL13878682

CCCC(NC(=O)C(=O)O)C(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
TLR2 O60603 4/20 0.45
CASP3 P42574 2/20 0.45
CTSK P43235 1/20 0.44
EPHX2 P34913 1/20 0.44
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
SCHEMBL13878675 0.94 KMT2A (0.50) KMT2ATLR2CASP3
SCHEMBL13878683 0.93 TLR2 (0.53) KMT2ATLR2CASP3
SCHEMBL13878621 0.92 TLR2 (0.54) KMT2ATLR2CASP3
SCHEMBL13878690 0.92 TLR2 (0.54) KMT2ATLR2CASP3
SCHEMBL13878676 0.92 TLR2 (0.54) KMT2ATLR2CASP3
SCHEMBL13878602 0.92 TLR2 (0.54) KMT2ATLR2CASP3
SCHEMBL13878669 0.91 KMT2A (0.54) KMT2ACASP3CTSKEPHX2MDM4
SCHEMBL13878849 0.90 KMT2A (0.48) KMT2ATLR2CASP3EPHX2MDM4
SCHEMBL13878694 0.89 KMT2A (0.47) KMT2ATLR2CASP3EPHX2MDM4
SCHEMBL13878701 0.89 KMT2A (0.49) KMT2ATLR2CASP3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105091-A1 Modified Amino Acids TECHNISCHE UNIVERSITAT WIEN (AT) 2009-04-23 US disclosed
US-20090105091-A1 Modified Amino Acids TECHNISCHE UNIVERSITAT WIEN (AT) 2009-04-23 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-20090105091-A1 Modified Amino Acids SLC1A2, NR1H4, OXGR1 KMT2A 1541/4885TLR2 1377/4885CASP3 4731/4885

“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.