SCHEMBL3290593

SCHEMBL3290593

COc1c(C)cc(C[C@H](N)C(=O)O)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 9/20 0.58
▸ THRA P10827 7/20 0.58
▸ SLC7A5 Q01650 5/20 0.55
▸ ADORA3 P0DMS8 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ USP2 O75604 2/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ PTGS2 P35354 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ EGFR P00533 1/20 0.53
▸ LCK P06239 1/20 0.53
▸ FYN P06241 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ LMNA P02545 4/20 0.49

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
SCHEMBL3291891 1.00 THRB (0.58) THRBTHRASLC7A5ADORA3HSD17B10
SCHEMBL7280620 0.91 THRB (0.56) THRBTHRASLC7A5ADORA3HSD17B10
SCHEMBL29510634 0.91 SLC7A5 (0.58) THRBTHRASLC7A5ADORA3HSD17B10
SCHEMBL3297372 0.86 THRB (0.59) THRBTHRASLC7A5ADORA3HSD17B10
SCHEMBL3297376 0.86 THRB (0.59) THRBTHRASLC7A5ADORA3HSD17B10
SCHEMBL19114016 0.84 THRB (0.60) THRBTHRASLC7A5ADORA3HSD17B10
SCHEMBL25180570 0.81 SLC7A5 (0.58) THRBTHRASLC7A5ADORA3HSD17B10
SCHEMBL13957567 0.81 SLC7A5 (0.58) THRBTHRASLC7A5ADORA3HSD17B10
SCHEMBL19113817 0.80 PCNA (0.74) THRBTHRASLC7A5ADORA3HSD17B10
SCHEMBL1323343 0.79 THRA (0.38) THRBTHRASLC7A5ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611491-B2 Biosynthetic pathway for heterologous expression of a nonribosomal peptide synthetase drug and analogs THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-04-04 — — US disclosed
US-20150050704-A1 BIOSYNTHETIC PATHWAY FOR HETEROLOGOUS EXPRESSION OF A NONRIBOSOMAL PEPTIDE SYNTHETASE DRUG AND ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-02-19 — — US disclosed
US-8815562-B2 Biosynthetic pathway for heterologous expression of a nonribosomal peptide synthetase drug and analogs The Regenys of the University of Michigan (US) 2014-08-26 — — US disclosed
US-20130095533-A1 Biosynthetic Pathway for Heterologous Expression of a Nonribosomal Peptide Synthetase Drug and Analogs THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-04-18 — — US disclosed
CN-101157929-B Safraninemycin biological synthesis gene cluster SHANGHAI INST ORGANIC CHEM 2012-05-23 — — CN disclosed
US-7723068-B2 Gene cluster involved in safracin biosynthesis and its uses for genetic engineering PHARMAMAR, S.A. (ES) 2010-05-25 — — US disclosed
US-7723068-B2 Gene cluster involved in safracin biosynthesis and its uses for genetic engineering PHARMAMAR, S.A. (ES) 2010-05-25 — — US disclosed
US-7723068-B2 Gene cluster involved in safracin biosynthesis and its uses for genetic engineering PHARMAMAR, S.A. (ES) 2010-05-25 — — US disclosed
EP-1576159-B9 THE GENE CLUSTER INVOLVED IN SAFRACIN BIOSYNTHESIS AND ITS USES FOR GENETIC ENGINEERING PHARMA MAR SA (ES) 2009-12-16 — — EP disclosed
EP-1576159-B9 THE GENE CLUSTER INVOLVED IN SAFRACIN BIOSYNTHESIS AND ITS USES FOR GENETIC ENGINEERING PHARMA MAR SA (ES) 2009-12-16 — — EP disclosed
EP-1576159-B1 THE GENE CLUSTER INVOLVED IN SAFRACIN BIOSYNTHESIS AND ITS USES FOR GENETIC ENGINEERING PHARMA MAR SA (ES) 2009-07-01 — — EP disclosed
EP-1576159-B1 THE GENE CLUSTER INVOLVED IN SAFRACIN BIOSYNTHESIS AND ITS USES FOR GENETIC ENGINEERING PHARMA MAR SA (ES) 2009-07-01 — — EP disclosed
US-20080182302-A2 The Gene Cluster Involved in Safracin Biosynthesis and Its Uses for Genetic Engineering PHARMA MAR, S.A. (ES) 2008-07-31 — — US disclosed
US-20080182302-A2 The Gene Cluster Involved in Safracin Biosynthesis and Its Uses for Genetic Engineering PHARMA MAR, S.A. (ES) 2008-07-31 — — US disclosed
US-20080182302-A2 The Gene Cluster Involved in Safracin Biosynthesis and Its Uses for Genetic Engineering PHARMA MAR, S.A. (ES) 2008-07-31 — — US disclosed
CN-101157929-A Safraninemycin biological synthesis gene cluster SHANGHAI INST ORGANIC CHEM (CN) 2008-04-09 — — CN disclosed
US-20060134764-A1 Gene cluster involved in safracin biosynthesis and its uses for genetic engineering VELASCO IGLESIAS ANA 2006-06-22 — — US disclosed
EP-1576159-A1 THE GENE CLUSTER INVOLVED IN SAFRACIN BIOSYNTHESIS AND ITS USES FOR GENETIC ENGINEERING PHARMA MAR, S.A. (ES) 2005-09-21 — — EP disclosed
WO-2004056998-A1 THE GENE CLUSTER INVOLVED IN SAFRACIN BIOSYNTHESIS AND ITS USES FOR GENETIC ENGINEERING PHARMA MAR, S.A. (ES) 2004-07-08 — — 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 (2 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-20060134764-A1 Gene cluster involved in safracin biosynthesis and its uses for genetic engineering COASY, MYCBP, MYC THRB 3455/4885THRA 2874/4885SLC7A5 1898/4885
US-20080182302-A2 The Gene Cluster Involved in Safracin Biosynthesis and Its Uses for Genetic Engineering COASY, MYCBP, MYC THRB 3464/4885THRA 2808/4885SLC7A5 2033/4885

“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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