SCHEMBL1770944

SCHEMBL1770944

COC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H](CCC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.41
KMT2A Q03164 1/20 0.39
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
TLR2 O60603 2/20 0.38
MDM2 Q00987 1/20 0.37
GRB2 P62993 1/20 0.37

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
SCHEMBL1410759 0.91 MDM4 (0.44) KMT2AMDM4TP53TLR2
SCHEMBL1410753 0.91 MDM4 (0.44) KMT2AMDM4TP53TLR2
SCHEMBL1770942 0.88 PTPN1 (0.40) PTPN1MDM4TP53MDM2GRB2
SCHEMBL1770431 0.87 PTPN1 (0.41) PTPN1KMT2AMDM4TP53MDM2
SCHEMBL30480147 0.86 PTPN1 (0.48) PTPN1MDM4TP53MDM2GRB2
SCHEMBL1770562 0.85 PTPN1 (0.40) PTPN1MDM4TP53TLR2MDM2
SCHEMBL29978516 0.85 PTPN1 (0.49) PTPN1MDM4TP53MDM2GRB2
SCHEMBL1415070 0.84 CTSL (0.43) PTPN1MDM4TP53GRB2
SCHEMBL1415067 0.84 CTSL (0.43) PTPN1MDM4TP53GRB2
SCHEMBL30480128 0.83 TLR2 (0.42) PTPN1KMT2AMDM4TP53TLR2

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-8614193-B2 Depsipeptides and their therapeutic use KARUS THERAPEUTICS LIMITED (GB) 2013-12-24 US disclosed
US-20110112090-A1 Depsipeptides and Their Therapeutic Use KARUS THERAPEUTICS LIMITED (GB) 2011-05-12 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-20110112090-A1 Depsipeptides and Their Therapeutic Use PRLHR, OPRD1, NPR3 PTPN1 2258/4885KMT2A 4643/4885MDM4 4621/4885

“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.