SCHEMBL13598774

SCHEMBL13598774

[N-]=[N+]=NCCCNC(=O)CCCC(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 15/20 0.55
▸ CA1 P00915 14/20 0.55
▸ CA2 P00918 14/20 0.55
▸ CA12 O43570 6/20 0.55
▸ CA14 Q9ULX7 2/20 0.54
▸ CA7 P43166 2/20 0.54
▸ USP2 O75604 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ ALB P02768 2/20 0.52
▸ ESR1 P03372 1/20 0.51

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
SCHEMBL14076112 0.89 CA9 (0.68) CA9CA1CA2CA12CA14
SCHEMBL18559017 0.89 CA9 (0.60) CA9CA1CA2CA12CA14
SCHEMBL13698023 0.87 CA9 (0.60) CA9CA1CA2CA12CA14
SCHEMBL17067944 0.85 CA9 (0.61) CA9CA1CA2CA12CA14
SCHEMBL24943216 0.84 USP2 (0.58) CA9CA1CA2CA12CA14
SCHEMBL14806746 0.83 CA9 (0.57) CA9CA1CA2CA12CA14
SCHEMBL16998357 0.83 CA9 (0.63) CA9CA1CA2CA12CA14
SCHEMBL12793932 0.82 CA9 (0.66) CA9CA1CA2CA12CA14
5-Iodoacetamidofluorescein SCHEMBL10146553 0.82 CA9 (0.66) CA9CA1CA2CA12CA14
SCHEMBL18474362 0.81 CA1 (0.67) CA9CA1CA2CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2770053-B1 In vivo incorporation of alkynyl amino acids into proteins in eubacteria SCRIPPS RESEARCH INST (US) 2018-02-21 — — EP disclosed
US-9797908-B2 Unnatural reactive amino acid genetic code additions THE SCRIPPS RESEARCH INSTITUTE (US) 2017-10-24 — — US disclosed
US-9797908-B2 Unnatural reactive amino acid genetic code additions THE SCRIPPS RESEARCH INSTITUTE (US) 2017-10-24 — — US disclosed
US-9580721-B2 Expanding the eukaryotic genetic code The Scripps Reserach Institute (US) 2017-02-28 — — US disclosed
US-9580721-B2 Expanding the eukaryotic genetic code The Scripps Reserach Institute (US) 2017-02-28 — — US disclosed
EP-2410331-B1 Aminoacyl-tRNA synthetase for aminoacylation tRNA with unnatural amino acids SCRIPPS RESEARCH INST (US) 2015-09-23 — — EP disclosed
US-20150240249-A1 EXPANDING THE EUKARYOTIC GENETIC CODE SCRIPPS RESEARCH INST (US) 2015-08-27 — — US disclosed
US-20150240249-A1 EXPANDING THE EUKARYOTIC GENETIC CODE SCRIPPS RESEARCH INST (US) 2015-08-27 — — US disclosed
US-8945926-B2 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2015-02-03 — — US disclosed
US-8945926-B2 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2015-02-03 — — 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-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-20080176277-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2008-07-24 — — US disclosed
US-20070178448-A1 Selective posttranslational modification of phage-displayed polypeptides THE SCRIPPS RESEARCH INSTITUTE (US) 2007-08-02 — — US disclosed
US-20070166791-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-19 — — 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
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 (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-20070154952-A1 Expanding the eukaryotic genetic code NSUN3, AARS1, TRMT1 CA9 4064/4885CA1 4466/4885CA2 3832/4885

“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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