SCHEMBL2742844

SCHEMBL2742844

C#CCOC(=O)[C@@H](N)Cc1ccc(OCC#C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA4 P22748 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ GSTP1 P09211 1/20 0.42
▸ PPARA Q07869 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ LTA4H P09960 2/20 0.39
▸ LAP3 P28838 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.38
▸ SLC7A5 Q01650 2/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL231156 1.00 CA12 (0.45) CA12CA2CA9CA1CA4
SCHEMBL18025354 0.93 CA12 (0.44) CA12CA2CA9CA1CA4
SCHEMBL17166629 0.90 CA12 (0.44) CA12CA2CA9CA1CA4
SCHEMBL16441206 0.90 CA12 (0.44) CA12CA2CA9CA1CA4
SCHEMBL16607619 0.89 ITGB3 (0.53) CA12CA2CA9CA1CA4
SCHEMBL10001634 0.89 LTA4H (0.47) CA12CA2CA9CA1CA4
SCHEMBL20215813 0.89 LTA4H (0.47) CA12CA2CA9CA1CA4
SCHEMBL10001633 0.88 CA12 (0.47) CA12CA2CA9CA1CA4
SCHEMBL19881530 0.88 ACACB (0.50) ITGB3ITGA2BACACB
Hydrochloric Acid SCHEMBL5755082 0.87 LTA4H (0.46) CA12CA2CA9CA1CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572384-B2 Unusual substrates of tubulin tyrosine ligase FORSCHUNGSVERBUND BERLIN E.V. (DE) 2023-02-07 — — US disclosed
CN-112739823-A Pyrrolysinyl-tRNA synthetases 国立研究开发法人理化学研究所 2021-04-30 — — CN disclosed
US-20210040145-A1 MEANS AND METHODS FOR SITE-SPECIFIC FUNCTIONALIZATION OF POLYPEPTIDES UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2021-02-11 — — US disclosed
EP-3733687-A1 MEANS AND METHODS FOR SITE-SPECIFIC FUNCTIONALIZATION OF POLYPEPTIDES Ludwig-Maximilians-Universität München (DE) 2020-11-04 — — EP disclosed
US-10745437-B2 Means and methods for site-specific functionalization of polypeptides LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2020-08-18 — — US disclosed
US-20190144493-A1 UNUSUAL SUBSTRATES OF TUBULIN TYROSINE LIGASE FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-05-16 — — US disclosed
US-10208084-B2 Means and methods for site-specific functionalization of polypeptides LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2019-02-19 — — US disclosed
US-20170349625-A1 MEANS AND METHODS FOR SITE-SPECIFIC FUNCTIONALIZATION OF POLYPEPTIDES FORSCHUNGSVERBUND BERLIN E.V. (DE) 2017-12-07 — — US disclosed
US-20170349625-A1 MEANS AND METHODS FOR SITE-SPECIFIC FUNCTIONALIZATION OF POLYPEPTIDES FORSCHUNGSVERBUND BERLIN E.V. (DE) 2017-12-07 — — US disclosed
US-9797908-B2 Unnatural reactive amino acid genetic code additions THE SCRIPPS RESEARCH INSTITUTE (US) 2017-10-24 — — US disclosed
US-20100160618-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2010-06-24 — — US disclosed
US-7718410-B2 Orthogonal pairs of tRNAs and aminoacyl-tRNA synthetases incorporate para-propargyloxyphenylalanine into proteins produced in E. coli THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-18 — — US disclosed
US-7625717-B2 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-01 — — US disclosed
US-7618775-B2 Cells comprise orthogonal aminoacyl-tRNA synthetase and p-acetyl-L-phenylalanine; site-directed mutagenesis; kits THE SCRIPPS RESEARCH INSTITUTE (US) 2009-11-17 — — US disclosed
US-7608423-B2 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2009-10-27 — — US disclosed
US-20080227195-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2008-09-18 — — US disclosed
US-20080220472-A1 Orthogonal pairs of tRNAs and aminoacyl-tRNA synthetases incorporate para-propargyloxyphenylalanine into proteins produced in E. coli THE SCRIPPS RESEARCH INSTITUTE (US) 2008-09-11 — — US disclosed
US-20080176277-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2008-07-24 — — US disclosed
US-20070166791-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-19 — — US disclosed
US-20070154952-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-05 — — 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 (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-20170349625-A1 MEANS AND METHODS FOR SITE-SPECIFIC FUNCTIONALIZATION OF POLYPEPTIDES PTMS, DNPEP, LNPEP CA12 1337/4885CA2 4221/4885CA9 3514/4885
US-20070154952-A1 Expanding the eukaryotic genetic code NSUN3, AARS1, TRMT1 CA12 4344/4885CA2 3832/4885CA9 4064/4885
US-11572384-B2 Unusual substrates of tubulin tyrosine ligase TTL, TUBA1C, TUBB6 CA12 3846/4885CA2 4291/4885CA9 4469/4885
US-20210040145-A1 MEANS AND METHODS FOR SITE-SPECIFIC FUNCTIONALIZATION OF POLYPEPTIDES PTMS, DNPEP, LNPEP CA12 1337/4885CA2 4221/4885CA9 3514/4885
US-10208084-B2 Means and methods for site-specific functionalization of polypeptides PTMS, DNPEP, LNPEP CA12 1337/4885CA2 4221/4885CA9 3514/4885
US-20190144493-A1 UNUSUAL SUBSTRATES OF TUBULIN TYROSINE LIGASE TTL, TUBA1C, TUBB6 CA12 3846/4885CA2 4291/4885CA9 4469/4885
US-20100160618-A1 Expanding the eukaryotic genetic code NSUN3, AARS1, TRMT1 CA12 4344/4885CA2 3832/4885CA9 4064/4885
US-10745437-B2 Means and methods for site-specific functionalization of polypeptides PTMS, DNPEP, LNPEP CA12 1337/4885CA2 4221/4885CA9 3514/4885

“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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