SCHEMBL4817591

SCHEMBL4817591

CC(=O)NCCS.CCC[C@@H](O)[C@H](C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
KDM4E B2RXH2 2/20 0.33
ADRA1A P35348 2/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
FOLH1 Q04609 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL5500614 1.00 PAOX (0.35) PAOXMTNR1AMTNR1BKDM4EADRA1A
SCHEMBL5496105 0.91 PAOX (0.37) PAOXMTNR1AMTNR1BKDM4EADRA1A
SCHEMBL5502978 0.90 ABCB1 (0.41) PAOXFOLH1MAPTSMN1; SMN2ZDHHC7
SCHEMBL5884046 0.87 KDM4E (0.35) PAOXMTNR1AMTNR1BKDM4EADRA1A
SCHEMBL5499942 0.86 MTNR1A (0.34) MTNR1AMTNR1BKDM4EADRA1AMAPK1
SCHEMBL5499259 0.86 MTNR1A (0.34) PAOXMTNR1AMTNR1BKDM4EADRA1A
SCHEMBL5494606 0.86 MTNR1A (0.34) MTNR1AMTNR1BKDM4EADRA1AMAPK1
SCHEMBL7069371 0.86 MEN1 (0.39) MTNR1AMTNR1BADRA1ACHRM1AKR1A1
SCHEMBL4846865 0.86 MEN1 (0.39) MTNR1AMTNR1BADRA1ACHRM1AKR1A1
SCHEMBL6413955 0.86 MEN1 (0.39) MTNR1AMTNR1BADRA1ACHRM1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7413878-B2 Recombinant host cells expressing atoAD and capable of making a polyketide using a starter unit KOSAN BIOSCIENCES, INC. (US) 2008-08-19 US disclosed
US-RE39836-E1 Macrolide antinfective agents KOSAN BIOSCIENCES, INC. (US) 2007-09-11 US disclosed
EP-1754700-A2 Synthesis of oligoketides Kosan Biosciences, Inc. (US) 2007-02-21 EP disclosed
EP-1171446-B1 MACROLIDE ANTIINFECTIVE AGENTS KOSAN BIOSCIENCES INC (US) 2006-09-20 EP disclosed
US-7067290-B2 Method for production of polyketides KOSAN BIOSCIENCES INCORPORATED (US) 2006-06-27 US disclosed
US-7022825-B2 Polyketides and antibiotics KOSAN BIOSCIENCES, INC. (US) 2006-04-04 US disclosed
US-6794366-B2 ERYTHRONOLIDE DERIVATIVES THAT CONTAIN MODIFICATIONS FROM THE NATIVE STRUCTURE AT POSITIONS 13, E.G., 15-(QUINOL-4-YL-ACETAMIDOERYTHROMYCIN A; BACTERICIDES; PRESERVATIVES KOSAN BIOSCIENCES, INC. 2004-09-21 US disclosed
US-6762168-B2 ANTIBACTERIAL COMPOUNDS. THE INVENTION CONCERNS MACROLIDE ANTIBIOTICS USEFUL AS ANTIINFECTIVE AGENTS. KOSAN BIOSCIENCES, INC. 2004-07-13 US disclosed
US-20040096946-A1 Metabolic pathways for starter units in polyketide biosynthesis KOSAN BIOSCIENCES, INC. 2004-05-20 US disclosed
WO-2004007688-A2 METABOLIC PATHWAYS FOR STARTER UNITS IN POLYKETIDE BIOSYNTHESIS KOSAN BIOSCIENCES, INC. (US) 2004-01-22 WO disclosed
US-20020156028-A1 Macrolide antiinfective agents CHU DANIEL T W (US) 2002-10-24 US disclosed
US-6458771-B1 SERIES OF KETOLIDE ANTIBACTERIALS IN THE MACROLIDE FAMILY, DRUGS AND INTERMEDIATES, ERYTHROMYCIN ANALOGUES USEFUL IN THE TREATMENT OF BACTERIAL AND PROTOZOAL INFECTIONS AND IN THE TREATMENT OF GASTRIC MOTILITY ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-01 US disclosed
US-6451768-B1 Macrolide antiinfective agents KOSAN BIOSCIENCES, INC. 2002-09-17 US disclosed
US-20020119938-A1 Macrolide antiinfective agents CHU DANIEL (US) 2002-08-29 US disclosed
US-6395710-B1 CONTROLLING INFECTIONS KOSAN BIOSCIENCES, INC. 2002-05-28 US disclosed
US-20020055472-A1 Macrolide antiinfective agents KOSAN BIOSCIENCES, INC. 2002-05-09 US disclosed
EP-1171446-A2 MACROLIDE ANTIINFECTIVE AGENTS Kosan Biosciences, Inc. (US) 2002-01-16 EP disclosed
EP-1171448-A2 MACROLIDE ANTIINFECTIVE AGENTS Kosan Biosciences, Inc. (US) 2002-01-16 EP disclosed
WO-2000063224-A2 MACROLIDE ANTIINFECTIVE AGENTS KOSAN BIOSCIENCES, INC. (US) 2000-10-26 WO disclosed
WO-2000063225-A2 MACROLIDE ANTIINFECTIVE AGENTS KOSAN BIOSCIENCES, INC. (US) 2000-10-26 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 (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-20020156028-A1 Macrolide antiinfective agents DOHH, MRPS18B, MRPL21 PAOX 3653/4885MTNR1A 2634/4885MTNR1B 1839/4885
US-20020119938-A1 Macrolide antiinfective agents MLNR, DOHH, NOP2 PAOX 1848/4885MTNR1A 198/4885MTNR1B 380/4885
US-20020055472-A1 Macrolide antiinfective agents BECN1, HSPA5, SQSTM1 PAOX 1963/4885MTNR1A 872/4885MTNR1B 882/4885

“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.