SCHEMBL12658111

SCHEMBL12658111

O=C(CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(CCC(=O)ON1C(=O)CCC1=O)C(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.44
▸ MDM4 O15151 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TLR2 O60603 2/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL29398199 0.96 MDM4 (0.45) MDM4TP53TLR2KMT2A
SCHEMBL30338374 0.96 MDM4 (0.45) MDM4TP53TLR2KMT2A
SCHEMBL10313728 0.96 MDM4 (0.45) MDM4TP53TLR2KMT2A
SCHEMBL30483321 0.91 TLR2 (0.44) MDM4TP53TLR2
SCHEMBL19670752 0.89 KMT2A (0.45) MDM4TP53TLR2KMT2A
SCHEMBL31591666 0.89 KMT2A (0.48) PTPN1MDM4TP53TLR2KMT2A
SCHEMBL29412202 0.88 MDM4 (0.44) PTPN1MDM4TP53TLR2KMT2A
SCHEMBL31292141 0.87 MDM4 (0.45) MDM4TP53TLR2
SCHEMBL20732314 0.87 MDM4 (0.45) MDM4TP53TLR2
SCHEMBL12658043 0.87 MDM2 (0.44) MDM4TP53TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961764-B1 SUGAR CHAIN ADDUCT OF PEPTIDE AND PHARMACEUTICAL COMPRISING THE SAME AS ACTIVE INGREDIENT SHIONOGI & CO (JP) 2011-05-11 — — EP disclosed
US-20100016547-A1 Glycosilated Peptide and Medicine Comprising It as an Effective Ingredient NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2010-01-21 — — US disclosed
EP-1961764-A1 SUGAR CHAIN ADDUCT OF PEPTIDE AND PHARMACEUTICAL COMPRISING THE SAME AS ACTIVE INGREDIENT Shionogi Co., Ltd. (JP) 2008-08-27 — — EP 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-20100016547-A1 Glycosilated Peptide and Medicine Comprising It as an Effective Ingredient GLP1R, VIP, IAPP PTPN1 804/4885MDM4 4750/4885TP53 4366/4885

“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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