SCHEMBL13878690

SCHEMBL13878690

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.54
KMT2A Q03164 2/20 0.48
TNF P01375 2/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
MDM2 Q00987 1/20 0.42
CASP3 P42574 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
SCHEMBL13878602 1.00 TLR2 (0.54) TLR2KMT2ATNFHDAC1HDAC2
SCHEMBL13878676 1.00 TLR2 (0.54) TLR2KMT2ATNFHDAC1HDAC2
SCHEMBL13878621 1.00 TLR2 (0.54) TLR2KMT2ATNFHDAC1HDAC2
SCHEMBL13878683 0.99 TLR2 (0.53) TLR2KMT2ATNFMDM2CASP3
SCHEMBL13878675 0.96 KMT2A (0.50) TLR2KMT2ATNFMDM2CASP3
SCHEMBL13878682 0.92 KMT2A (0.52) TLR2KMT2ACASP3
SCHEMBL13878630 0.90 KMT2A (0.48) TLR2KMT2ATNFHDAC1HDAC2
SCHEMBL13878608 0.89 KMT2A (0.47) TLR2KMT2ATNFHDAC1HDAC2
SCHEMBL13878836 0.88 KMT2A (0.46) TLR2KMT2ATNFHDAC1HDAC2
SCHEMBL13878669 0.88 KMT2A (0.54) KMT2ACASP3

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 TLR2 1377/4885KMT2A 1541/4885TNF 4373/4885

“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.