Sugi Predict

Sugi Predict / Compounds / SCHEMBL3293344

SCHEMBL3293344

SCHEMBL3293344

CC[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.38
▸ CA2 P00918 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SLC1A3 P43003 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ SLC1A1 P43005 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ AKR1A1 P14550 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31

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
SCHEMBL6742696 1.00 TP53 (0.38) TP53CA2MAPK1SLC1A3SLC1A2
SCHEMBL4224484 1.00 TP53 (0.38) TP53CA2MAPK1SLC1A3SLC1A2
SCHEMBL17795738 0.86 TP53 (0.41) TP53CA2MAPK1TSHRPDE4A
SCHEMBL5065017 0.84 TP53 (0.39) TP53CA2MAPK1TSHRPDE4A
SCHEMBL5681312 0.83 CHRM1 (0.43) TP53CA2MAPK1SLC1A3SLC1A2
SCHEMBL15693950 0.82 PDE4A (0.46) TP53TSHRPDE4ATDP1
SCHEMBL17054001 0.82 PDE4A (0.46) TP53TSHRPDE4ATDP1
SCHEMBL14817422 0.82 PDE4A (0.46) TP53TSHRPDE4ATDP1
SCHEMBL16994741 0.82 PDE4A (0.46) TP53TSHRPDE4ATDP1
SCHEMBL5499838 0.80 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979286-B1 COMBINATORIAL POLYKETIDE LIBRARIES PRODUCED USING A MODULAR PKS GENE CLUSTER AS SCAFFOLD KOSAN BIOSCIENCES INC (US) 2014-01-29 — — EP disclosed
US-7741456-B2 Polyketides and antibiotics produced by combinatorial techniques THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-06-22 — — US disclosed
US-20080200659-A1 Combinatorial polyketide libraries produced using a modular PKS gene cluster as scaffold THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-08-21 — — US disclosed
US-20080003648-A1 Method to prepare macrolide analogs KHOSLA CHAITAN 2008-01-03 — — US disclosed
US-7101684-B2 Modified modular polyketide synthase STANFORD UNIVERSITY (US) 2006-09-05 — — US disclosed
US-20060019371-A1 Macrolide analogs NATIONAL SCIENCE FOUNDATION 2006-01-26 — — US disclosed
EP-1614756-A1 A combinatorial polyketide library The Leland Stanford Junior University (US) 2006-01-11 — — EP disclosed
US-6984515-B2 Generation of preferential nucleotide sequences coding enzymatic polypeptide; obtain cell, transform with vector coding enzymatic polypeptide, express vector, detect polypeptide THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2006-01-10 — — US disclosed
EP-0871760-B1 RECOMBINANT PRODUCTION OF NOVEL POLYKETIDES UNIV LELAND STANFORD JUNIOR (US) 2005-11-23 — — EP disclosed
US-6927057-B2 Macrolide analogs KOSAN BIOSCIENCES (US) 2005-08-09 — — US disclosed
US-20030040084-A1 Macrolide analogs THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2003-02-27 — — US disclosed
US-20020068332-A1 Macrolide analogs KOSAN BIOSCIENCES 2002-06-06 — — US disclosed
US-6391594-B1 GENERATING NUCLEOTIDE SEQUENCE ENCODING GENETICALLY ENGINEERED POLYKETIDE SYNTHASE; OBTAIN NUCLEOTIDE SEQUENCES, INSERT INTO EXPRESSION VECTORS, TRANSFORM CELLS, RECOVER ENZYMATIC POLYPEPTIDE KOSAN BIOSCIENCES, INC. 2002-05-21 — — US disclosed
US-20020034797-A1 MODIFIED MODULAR PKS WITH RETAINED SCAFFOLD KOSAN BIOSCIENCES, INC. 2002-03-21 — — US disclosed
US-20010024810-A1 Method to prepare macrolide analogs KHOSLA CHAITAN (US) 2001-09-27 — — US disclosed
US-6274560-B1 INCUBATING DIKETIDE WITH MODIFIED POLYKETIDE SYNTHASE; RECOVERING; GENETIC ENGINEERING BROWN UNIVERSITY RESEARCH FOUNDATION 2001-08-14 — — US disclosed
US-6080555-A Synthesis of polyketides from diketides STANFORD UNIVERSITY (US) 2000-06-27 — — US disclosed
US-6077696-A HYBRID POLYKETIDE SYNTHASE WITH AT LEAST TWO ENZYMATIC ACTIVITY MODULES; FOR PRODUCTION OF KNOWN AND NOVEL ANTIBIOTICS, ANTITUMOR AGENTS AND IMMUNOSUPPRESSANTS THE JOHNS INNES INSTITUTE (GB) 2000-06-20 — — US disclosed
US-5962290-A LIBRARY OF INDIVIDUAL CELL LINES WHICH PRODUCE FUNCTIONAL MODULAR POLYKETIDE SYNTHASE FOR EFFICIENT PRODUCTION OF ANTIBIOTICS, ANTICARCINOGENIC AGENTS, IMMUNOSUPPRESSANTS, AND VETERINARY PRODUCTS THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1999-10-05 — — US disclosed
US-5712146-A Recombinant combinatorial genetic library for the production of novel polyketides THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1998-01-27 — — 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 (3 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-20080200659-A1 Combinatorial polyketide libraries produced using a modular PKS gene cluster as scaffold COASY, KARS1, EMG1 TP53 4584/4885CA2 4643/4885MAPK1 3119/4885
US-20060019371-A1 Macrolide analogs COASY, LSS, EMG1 TP53 4850/4885CA2 4794/4885MAPK1 3688/4885
US-20020068332-A1 Macrolide analogs COASY, LSS, EMG1 TP53 4850/4885CA2 4794/4885MAPK1 3688/4885

“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.