SCHEMBL1300076

SCHEMBL1300076

CC(C)(C)OC(=O)NC(CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.55
KMT2A Q03164 1/20 0.53
MDM4 O15151 2/20 0.50
TP53 P04637 2/20 0.50
IDO1 P14902 1/20 0.50
TLR2 O60603 3/20 0.49
TLR1 Q15399 1/20 0.49

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
SCHEMBL31180735 1.00 MDM2 (0.55) MDM2KMT2AMDM4TP53IDO1
SCHEMBL29400825 1.00 MDM2 (0.55) MDM2KMT2AMDM4TP53IDO1
SCHEMBL29594390 1.00 MDM2 (0.55) MDM2KMT2AMDM4TP53IDO1
SCHEMBL1000910 1.00 MDM2 (0.55) MDM2KMT2AMDM4TP53IDO1
SCHEMBL29362665 0.96 MDM2 (0.57) MDM2KMT2AMDM4TP53TLR2
SCHEMBL14039221 0.96 MDM2 (0.57) MDM2KMT2AMDM4TP53TLR2
SCHEMBL30385460 0.96 MDM2 (0.57) MDM2KMT2AMDM4TP53TLR2
SCHEMBL29383813 0.96 MDM2 (0.57) MDM2KMT2AMDM4TP53TLR2
SCHEMBL30645673 0.96 MDM2 (0.57) MDM2KMT2AMDM4TP53TLR2
SCHEMBL4612515 0.96 MDM2 (0.57) MDM2KMT2AMDM4TP53TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310330-A1 PEPTIDIC OLIGOMERS AND METHODS OF USING THE SAME BIOVENTURES LLC (US) 2023-10-05 US disclosed
US-11674136-B2 DNA-templated macrocycle library PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-13 US disclosed
US-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 US disclosed
US-11046729-B2 Dipeptide analogs as TGF-beta inhibitors SOUTHERN RESEARCH INSTITUTE (US) 2021-06-29 US disclosed
US-20200399634-A1 DNA-TEMPLATED MACROCYCLE LIBRARY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-12-24 US disclosed
EP-3700545-A1 DIPEPTIDE ANALOGS AS TGF-BETA INHIBITORS Southern Research Institute (US) 2020-09-02 EP disclosed
WO-2019168654-A9 DNA-TEMPLATED MACROCYCLE LIBRARY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-10-17 WO disclosed
US-20190127420-A1 DIPEPTIDE ANALOGS AS TGF-BETA INHIBITORS UAB RESEARCH FOUNDATION 2019-05-02 US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
EP-2519664-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN Avila Therapeutics, Inc. (US) 2012-11-07 EP disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 US disclosed
WO-2011082285-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN AVILA THERAPEUTICS, INC. (US) 2011-07-07 WO disclosed
CN-101951769-A Hcv protease inhibitors and uses thereof AVILA THERAPEUTICS INC 2011-01-19 CN disclosed
US-7863455-B2 Electrochemically active ligand for sequence-specific detection of double-stranded nucleic acid molecule JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-01-04 US disclosed
US-20070172826-A1 Electrochemically active ligand for sequence-specific detection of double-stranded nucleic acid molecule JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-07-26 US disclosed
EP-1719777-A1 ELECTROCHEMICALLY ACTIVE LIGAND FOR SEQUENCE-SPECIFIC DETECTION OF DOUBLE-STRANDED NUCLEIC ACID MOLECULE Japan Science and Technology Agency (JP) 2006-11-08 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 (8 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-11674136-B2 DNA-templated macrocycle library IDE, IAPP, POLRMT MDM2 938/4885KMT2A 3958/4885MDM4 1827/4885
US-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP MDM2 72/4885KMT2A 1160/4885MDM4 1746/4885
US-20070172826-A1 Electrochemically active ligand for sequence-specific detection of double-stranded nucleic acid molecule POLRMT, POLM, POLI MDM2 4548/4885KMT2A 440/4885MDM4 3810/4885
US-20200399634-A1 DNA-TEMPLATED MACROCYCLE LIBRARY IDE, IAPP, POLRMT MDM2 938/4885KMT2A 3958/4885MDM4 1827/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP MDM2 72/4885KMT2A 1160/4885MDM4 1746/4885
US-20190127420-A1 DIPEPTIDE ANALOGS AS TGF-BETA INHIBITORS TGFB1, TGFB2, SMAD3 MDM2 993/4885KMT2A 1644/4885MDM4 1715/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP MDM2 72/4885KMT2A 1160/4885MDM4 1746/4885
US-11046729-B2 Dipeptide analogs as TGF-beta inhibitors TGFB1, TGFB2, SMAD3 MDM2 993/4885KMT2A 1644/4885MDM4 1715/4885

“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.