SCHEMBL3049634

SCHEMBL3049634

CCOC(=O)C(CCCC(=O)C=[N+]=[N-])NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.46
▸ MDM2 Q00987 2/20 0.46
▸ CASP3 P42574 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ KMT2A Q03164 2/20 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
SCHEMBL3044166 0.94 TLR2 (0.46) TLR2MDM2CASP3HDAC1HDAC2
SCHEMBL5691276 0.94 TLR2 (0.46) TLR2MDM2CASP3HDAC1HDAC2
SCHEMBL30948677 0.94 TLR2 (0.46) TLR2MDM2CASP3HDAC1HDAC2
SCHEMBL30919289 0.91 PTPN1 (0.45) TLR2CASP3
SCHEMBL30948810 0.87 TLR2 (0.42) TLR2CASP3KMT2A
SCHEMBL18451149 0.87 CASP3 (0.41) TLR2CASP3
SCHEMBL19615686 0.87 PTPN1 (0.49) TLR2
SCHEMBL18452611 0.87 PTPN1 (0.49) TLR2
SCHEMBL18476829 0.87 PTPN1 (0.49) TLR2
SCHEMBL30948796 0.86 CASP3 (0.46) TLR2MDM2CASP3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723307-B2 Amino acid derivatives and pharmaceutical uses thereof ASTON UNIVERSITY (GB) 2010-05-25 — — US disclosed
US-20080200511-A1 Novel Compounds and Methods of Using the Same ASTON UNIVERSITY (GB) 2008-08-21 — — US disclosed
EP-1648924-A2 DIPEPTIDE TRANSGLUTAMINASE INHIBITORS AND METHODS OF USING THE SAME The Nottingham Trent University (GB) 2006-04-26 — — EP disclosed
WO-2004113363-A2 DIPEPTIDE TRANSGLUTAMINASE INHIBITORS AND METHODS OF USING THE SAME THE NOTTINGHAM TRENT UNIVERSITY (GB) 2004-12-29 — — WO 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-20080200511-A1 Novel Compounds and Methods of Using the Same F3, IL4I1, TPMT TLR2 1929/4885MDM2 3407/4885CASP3 1245/4885

“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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