SCHEMBL16075059

SCHEMBL16075059

CC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.49
▸ MDM4 O15151 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MDM2 Q00987 1/20 0.45
▸ CTSL P07711 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ ABCB1 P08183 1/20 0.44

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
SCHEMBL16080167 1.00 PTPN1 (0.49) PTPN1MDM4TP53MDM2CTSL
SCHEMBL29384797 0.92 MDM4 (0.51) PTPN1MDM4TP53MDM2CTSL
SCHEMBL31714182 0.92 MDM4 (0.51) PTPN1MDM4TP53MDM2CTSL
SCHEMBL12052840 0.92 PTPN1 (0.48) PTPN1MDM4TP53MDM2CTSL
SCHEMBL29349956 0.92 MDM4 (0.51) PTPN1MDM4TP53MDM2CTSL
SCHEMBL29047065 0.92 PTPN1 (0.48) PTPN1MDM4TP53MDM2CTSL
SCHEMBL29358863 0.92 MDM4 (0.51) PTPN1MDM4TP53MDM2CTSL
SCHEMBL117946 0.92 MDM4 (0.51) PTPN1MDM4TP53MDM2CTSL
SCHEMBL119588 0.92 MDM4 (0.51) PTPN1MDM4TP53MDM2CTSL
SCHEMBL8100860 0.92 PTPN1 (0.48) PTPN1MDM4TP53MDM2CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180153194-A1 AGENT HAVING ANTI-ICE NUCLEATION ACTIVITY THE SCHOOL CORPORATION KANSAI UNIVERSITY (JP) 2018-06-07 — — US disclosed
US-9341629-B2 Synthesis and composition of amino acid linking groups conjugated to compounds used for the targeted imaging of tumors PURDUE RESEARCH FOUNDATION (US) 2016-05-17 — — US disclosed
US-9333270-B2 Synthesis and composition of amino acid linking groups conjugated to compounds used for the targeted imaging of tumors PURDUE RESEARCH FOUNDATION (US) 2016-05-10 — — US disclosed
US-9254341-B2 Methods of manufacture of pteroyl-amino acid-fluorescent dyes On Target Laboratories, Inc. 2016-02-09 — — US disclosed
US-20160011199-A1 SYNTHESIS AND COMPOSITION OF AMINO ACID LINKING GROUPS CONJUGATED TO COMPOUNDS USED FOR THE TARGETED IMAGING OF TUMORS PURDUE RESEARCH FOUNDATION 2016-01-14 — — US disclosed
US-9233175-B2 Methods of imaging inflammatory diseases by ligands conjugated to fluorescent compounds PURDUE RESEARCH FOUNDATION (US) 2016-01-12 — — US disclosed
US-9233175-B2 Methods of imaging inflammatory diseases by ligands conjugated to fluorescent compounds PURDUE RESEARCH FOUNDATION (US) 2016-01-12 — — US disclosed
US-9061057-B2 Synthesis and composition of amino acid linking groups conjugated to compounds used for the targeted imaging of tumors PURDUE RESEARCH FOUNDATION (US) 2015-06-23 — — US disclosed
US-20140271484-A1 Methods of Imaging Inflammatory Diseases by Ligands Conjugated to Fluorescent Compounds PURDUE RESEARCH FOUNDATION (US) 2014-09-18 — — US disclosed
US-20140271484-A1 Methods of Imaging Inflammatory Diseases by Ligands Conjugated to Fluorescent Compounds PURDUE RESEARCH FOUNDATION (US) 2014-09-18 — — US disclosed
US-20140275533-A1 Methods of Manufacture and Synthesis of Amino Acid Linking Groups Conjugated To Compounds Used For Targeted Imaging of Tumors On Target Laboratories, LLC (US) 2014-09-18 — — US disclosed
US-20140271482-A1 SYNTHESIS AND COMPOSITION OF AMINO ACID LINKING GROUPS CONJUGATED TO COMPOUNDS USED FOR THE TARGETED IMAGING OF TUMORS PURDUE RESEARCH FOUNDATION (US) 2014-09-18 — — US disclosed
US-20140271476-A1 SYNTHESIS AND COMPOSITION OF AMINO ACID LINKING GROUPS CONJUGATED TO COMPOUNDS USED FOR THE TARGETED IMAGING OF TUMORS PURDUE RESEARCH FOUNDATION (US) 2014-09-18 — — 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 (6 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-20140271484-A1 Methods of Imaging Inflammatory Diseases by Ligands Conjugated to Fluorescent Compounds FPR3, FPR2, MSR1 PTPN1 3695/4885MDM4 2650/4885TP53 1397/4885
US-20180153194-A1 AGENT HAVING ANTI-ICE NUCLEATION ACTIVITY YBX1, YBX3, TPX2 PTPN1 209/4885MDM4 647/4885TP53 332/4885
US-20160011199-A1 SYNTHESIS AND COMPOSITION OF AMINO ACID LINKING GROUPS CONJUGATED TO COMPOUNDS USED FOR THE TARGETED IMAGING OF TUMORS EGFR, TIE1, ERBB2 PTPN1 4453/4885MDM4 967/4885TP53 25/4885
US-20140271476-A1 SYNTHESIS AND COMPOSITION OF AMINO ACID LINKING GROUPS CONJUGATED TO COMPOUNDS USED FOR THE TARGETED IMAGING OF TUMORS EGFR, TIE1, ERBB2 PTPN1 4453/4885MDM4 967/4885TP53 25/4885
US-20140275533-A1 Methods of Manufacture and Synthesis of Amino Acid Linking Groups Conjugated To Compounds Used For Targeted Imaging of Tumors MST1R, MET, FOLR1 PTPN1 4661/4885MDM4 1624/4885TP53 61/4885
US-20140271482-A1 SYNTHESIS AND COMPOSITION OF AMINO ACID LINKING GROUPS CONJUGATED TO COMPOUNDS USED FOR THE TARGETED IMAGING OF TUMORS EGFR, TIE1, ERBB2 PTPN1 4453/4885MDM4 967/4885TP53 25/4885

“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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