SCHEMBL10188901

SCHEMBL10188901

C=CCOc1cccc(C[C@H](N)C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SLC7A5 Q01650 7/20 0.51
▸ PTGS1 P23219 2/20 0.51
▸ ALPI P09923 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ XIAP P98170 1/20 0.51
▸ GRIA2 P42262 1/20 0.50
▸ NOS3 P29474 2/20 0.49
▸ NOS1 P29475 2/20 0.49
▸ NOS2 P35228 2/20 0.49
▸ BCHE P06276 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ ALOX15 P16050 1/20 0.46

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
SCHEMBL22444630 1.00 KDM4E (0.52) KDM4ENPC1RAB9ASLC7A5PTGS1
SCHEMBL22444655 0.87 KDM4E (0.50) KDM4ENPC1RAB9AGRIA2BCHE
SCHEMBL524638 0.83 ITGB3 (0.59) KDM4ENPC1RAB9ASLC7A5PTGS1
SCHEMBL9784912 0.83 ITGB3 (0.59) KDM4ENPC1RAB9ASLC7A5PTGS1
SCHEMBL455152 0.83 ITGB3 (0.59) KDM4ENPC1RAB9ASLC7A5PTGS1
SCHEMBL25359079 0.82 SLC7A5 (0.56) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL2777704 0.82 SLC7A5 (0.58) KDM4ESLC7A5PTGS1ALPIPKM
SCHEMBL25356665 0.82 SLC7A5 (0.56) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL6775024 0.82 ITGB3 (0.58) KDM4ESLC7A5PTGS1ALPIPKM
SCHEMBL25355736 0.82 SLC7A5 (0.56) SLC7A5PTGS1ALPIPKMXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4540267-B1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2026-04-15 — — EP disclosed
US-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2023-12-21 — — US disclosed
EP-2796546-B1 Incorporation of unnatural amino acids SCRIPPS RESEARCH INST (US) 2017-08-09 — — EP disclosed
EP-1490483-B1 IN VIVO INCORPORATION OF UNNATURAL AMINO ACIDS SCRIPPS RESEARCH INST (US) 2015-06-03 — — EP disclosed
EP-2796546-A1 In vivo incorporation of unnatural amino acids The Scripps Research Institute (US) 2014-10-29 — — EP disclosed
US-20120202243-A1 IN Vivo Incorporation of Unnatural Amino Acids THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-09 — — US disclosed
US-8173392-B2 In vivo incorporation of unnatural amino acids THE SCRIPPS RESEARCH INSTITUTE (US) 2012-05-08 — — US disclosed
US-8114648-B2 In vivo incorporation of unnatural amino acids THE SCRIPPS RESEARCH INSTITUTE (US) 2012-02-14 — — US disclosed
US-8030074-B2 In vivo incorporation of unnatural amino acids THE SCRIPPS RESEARCH INSTITUTE (US) 2011-10-04 — — US disclosed
EP-2322631-A1 In vivo incorporation of unnatural amino acids The Scripps Research Institute (US) 2011-05-18 — — EP disclosed
US-7915025-B2 In vivo incorporation of unnatural amino acids THE SCRIPPS RESEARCH INSTITUTE (US) 2011-03-29 — — US disclosed
US-7638300-B2 Translation systems with orthogonal aminoacyl tRNA synthetase; membrane proteins THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-29 — — US disclosed
US-20090068717-A1 In vivo incorporation of unnatural amino acids THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 — — US disclosed
US-20080261311-A1 Translation systems with orthogonal aminoacyl tRNA synthetase; membrane proteins THE SCRIPPS RESEARCH INSTITUTE and THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-10-23 — — US disclosed
US-20080227152-A1 Translation systems with orthogonal aminoacyl tRNA synthetase; membrane proteins THE SCRIPPS RESEARCH INSTITUTE (US) 2008-09-18 — — US disclosed
US-20080167243-A1 immunizing a subject with a sufficient amount of a translated polypeptide to produce antibody; containing a phenylalanine or tyrosine derivative analoges THE SCRIPPS RESEARCH INSTITUTE 2008-07-10 — — US disclosed
US-20080166783-A1 Translation system for biosynthesis of insulin like growth factor THE SCRIPPS RESEARCH INSTITUTE and THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-10 — — US disclosed
US-7368275-B2 Orthogonal tRNA synthetase that aminoacylates with reduced efficiency; lower km and recognizes selector codon in mRNA THE SCRIPPS RESEARCH INSTITUTE (US) 2008-05-06 — — US disclosed
US-20070117184-A1 Translation systems with orthogonal aminoacyl tRNA synthetase; membrane proteins THE SCRIPPS RESEARCH INSTITUTE 2007-05-24 — — US disclosed
WO-2007001406-A2 ARYL-CONTAINING MACROCYCLIC COMPOUNDS CHIRON CORPORATION (US) 2007-01-04 — — 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 (4 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-20080167243-A1 immunizing a subject with a sufficient amount of a translated polypeptide to produce antibody; containing a phenylalanine or tyrosine derivative analoges DNPEP, NPEPPS, TYR KDM4E 1746/4885NPC1 4163/4885RAB9A 3242/4885
US-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA IL1A, IL1B, IL1R1 KDM4E 4454/4885NPC1 1431/4885RAB9A 225/4885
US-20080261311-A1 Translation systems with orthogonal aminoacyl tRNA synthetase; membrane proteins AARS1, NSUN3, TRMT1 KDM4E 3149/4885NPC1 1799/4885RAB9A 2538/4885
US-20070117184-A1 Translation systems with orthogonal aminoacyl tRNA synthetase; membrane proteins AARS1, NSUN3, TRMT1 KDM4E 3149/4885NPC1 1799/4885RAB9A 2538/4885

“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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