SCHEMBL3206169

SCHEMBL3206169

O=C(O)COCCOCCN1C(=O)C=CC1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.71
PTGS1 P23219 8/20 0.47
PTGS2 P35354 8/20 0.47
FAAH O00519 4/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TLR9 Q9NR96 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR35 Q9HC97 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
SCHEMBL19272736 1.00 MGLL (0.71) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL321096 0.96 MGLL (0.64) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL15206463 0.90 MGLL (0.56) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL27420754 0.86 MGLL (0.71) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL5208692 0.86 MGLL (0.71) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL17732171 0.86 MGLL (0.71) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL10079339 0.86 MGLL (0.71) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL15215618 0.86 MGLL (0.71) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL22311909 0.86 MGLL (0.71) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL13733359 0.86 MGLL (0.71) MGLLPTGS1PTGS2FAAHALDH1A1

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 113 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11179467-B2 Exenatide modifier and use thereof BRIGHTGENE BIO-MEDICAL TECHNOLOGY CO., LTD. (CN) 2021-11-23 US disclosed
US-20200347149-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEAGEN INC. 2020-11-05 US disclosed
US-10808039-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS INC. (US) 2020-10-20 US disclosed
US-10639381-B2 Trioxacarcins, trioxacarcin#antibody conjugates, and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2020-05-05 US disclosed
EP-3321279-B1 EXENATIDE MODIFIER AND USE THEREOF BRIGHTGENE BIO MEDICAL TECH CO LTD (CN) 2020-02-12 EP disclosed
US-10414826-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2019-09-17 US disclosed
EP-2320954-B1 DIAGNOSTIC AGENTS SELECTIVE AGAINST METALLOPROTEASES BRACCO IMAGING SPA (IT) 2019-09-04 EP disclosed
EP-2922575-B1 TRIOXACARCINS, TRIOXACARCIN-ANTIBODY CONJUGATES, AND USES THEREOF HARVARD COLLEGE (US) 2019-06-26 EP disclosed
EP-3434275-A1 ASSAY FOR CANCER CELLS BASED ON THE USE OF AURISTATIN CONJUGATES WITH ANTIBODIES Seattle Genetics, Inc. (US) 2019-01-30 EP disclosed
US-20180221504-A1 TRIOXACARCINS, TRIOXACARCIN-ANTIBODY CONJUGATES, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-08-09 US disclosed
US-20080317668-A1 Integrin Targeted Synthetic Ligands for Diagnostic and Therapeutic Applications BRACCO IMAGING S.P.A. (IT) 2008-12-25 US disclosed
US-20080300192-A1 Auristatins Having an Aminobenzoic Acid Unit at the N Terminus SEATTLE GENETICS, INC. (US) 2008-12-04 US disclosed
US-20080300192-A1 Auristatins Having an Aminobenzoic Acid Unit at the N Terminus SEATTLE GENETICS, INC. (US) 2008-12-04 US disclosed
US-20080248053-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases SEATTLE GENETICS, INC. (US) 2008-10-09 US disclosed
US-20080248051-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases SEATTLE GENETICS, INC. (US) 2008-10-09 US disclosed
US-20080226657-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases SEATTLE GENETICS, INC. (US) 2008-09-18 US disclosed
US-20070134243-A1 Antibody drug conjugates and methods GENENTECH, INC. 2007-06-14 US disclosed
WO-2007008848-A2 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE CARBOXY MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 WO disclosed
WO-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 WO disclosed
WO-2006095234-A2 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2006-09-14 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 (12 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-20080248053-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases MMAB, CAD, VIM MGLL 4677/4885PTGS1 4626/4885PTGS2 4832/4885
US-10414826-B2 Monomethylvaline compounds capable of conjugation to ligands MMAB, CAD, VIM MGLL 4454/4885PTGS1 4742/4885PTGS2 4834/4885
US-10639381-B2 Trioxacarcins, trioxacarcin#antibody conjugates, and uses thereof C9, CES1, LYPLA1 MGLL 1761/4885PTGS1 3221/4885PTGS2 3887/4885
US-10808039-B2 Monomethylvaline compounds capable of conjugation to ligands MMAB, CAD, VIM MGLL 4454/4885PTGS1 4742/4885PTGS2 4834/4885
US-20080226657-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases MMAB, CAD, VIM MGLL 4677/4885PTGS1 4626/4885PTGS2 4832/4885
US-20080248051-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases MMAB, CAD, VIM MGLL 4677/4885PTGS1 4626/4885PTGS2 4832/4885
US-20070134243-A1 Antibody drug conjugates and methods BOD1L1, MKI67, CCNI MGLL 4187/4885PTGS1 1967/4885PTGS2 1927/4885
US-20080317668-A1 Integrin Targeted Synthetic Ligands for Diagnostic and Therapeutic Applications ITGA2B, ITGB2, ITGB1 MGLL 4850/4885PTGS1 4338/4885PTGS2 4298/4885
US-20180221504-A1 TRIOXACARCINS, TRIOXACARCIN-ANTIBODY CONJUGATES, AND USES THEREOF C9, CES1, LYPLA1 MGLL 1861/4885PTGS1 3258/4885PTGS2 3912/4885
US-11179467-B2 Exenatide modifier and use thereof GLP1R, GCGR, GIPR MGLL 68/4885PTGS1 1262/4885PTGS2 2129/4885
US-20200347149-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM MGLL 4454/4885PTGS1 4742/4885PTGS2 4834/4885
US-20080300192-A1 Auristatins Having an Aminobenzoic Acid Unit at the N Terminus AURKB, AURKA, AURKC MGLL 4854/4885PTGS1 4453/4885PTGS2 4639/4885

“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.