SCHEMBL13878701

SCHEMBL13878701

COC(=O)CCC(NC(=O)C(=O)O)C(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
PTPN1 P18031 6/20 0.44
CASP3 P42574 1/20 0.43
TNF P01375 1/20 0.42
EPHX2 P34913 1/20 0.42
TLR2 O60603 1/20 0.42

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
SCHEMBL13878658 0.94 KMT2A (0.47) KMT2ACASP3TNFTLR2
SCHEMBL13878608 0.93 KMT2A (0.47) KMT2ACASP3TNFTLR2
SCHEMBL13878630 0.92 KMT2A (0.48) KMT2ACASP3TNFTLR2
SCHEMBL13878587 0.91 KMT2A (0.46) KMT2APTPN1CASP3
SCHEMBL13878682 0.89 KMT2A (0.52) KMT2ACASP3EPHX2TLR2
SCHEMBL13878825 0.88 KMT2A (0.45) KMT2APTPN1CASP3EPHX2
SCHEMBL13878601 0.88 KMT2A (0.53) KMT2ACASP3TNFEPHX2
SCHEMBL13878645 0.87 TLR2 (0.51) KMT2APTPN1CASP3TLR2
SCHEMBL13878675 0.87 KMT2A (0.50) KMT2ACASP3TNFTLR2
SCHEMBL13878669 0.86 KMT2A (0.54) KMT2ACASP3EPHX2

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 1541/4885PTPN1 3189/4885CASP3 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.