SCHEMBL10000809

SCHEMBL10000809

CC(=O)O[C@H]1[C@H](O)[C@H](O)[C@H](OC(C)(C)C)OC1(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 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
SCHEMBL15275661 1.00 ABCB1 (0.31) ABCB1
SCHEMBL12500882 1.00 ABCB1 (0.31) ABCB1
SCHEMBL10000807 0.84
SCHEMBL15275662 0.84
SCHEMBL14959986 0.82 IDE (0.31) ABCB1
SCHEMBL12849069 0.78 NPC1 (0.32) ABCB1
SCHEMBL14453033 0.76 MAPT (0.32) ABCB1
SCHEMBL13422450 0.70 ABCB1 (0.33) ABCB1
SCHEMBL15275665 0.68
SCHEMBL10000813 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586551-B2 18-membered macrocycles and analogs thereof OPTIMER PHARMACEUTICALS, INC. (US) 2013-11-19 US disclosed
US-20130252913-A1 18-Membered Macrocycles and Analogs Thereof OPTIMER PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-8445654-B2 Antibiotic macrocycle compounds and methods of manufacture and use thereof OPTIMER PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20120040922-A1 ANTIBIOTIC MACROCYCLE COMPOUNDS AND METHODS OF MANUFACTURE AND USE THEREOF MERCK SHARP & DOHME LLC 2012-02-16 US disclosed
US-8044030-B2 Antibiotic macrocycle compounds and methods of manufacture and use thereof OPTIMER PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
US-20110166090-A1 18-Membered Macrocycles and Analogs Thereof SHUE YOUE-KONG 2011-07-07 US disclosed
US-7906489-B2 Use of tiacumicin B aka fidaxomicin or OPT-80 to treat diarrhea caused by Clostridium difficile gastrointestinal infection OPTIMER PHARMACEUTICALS, INC. (US) 2011-03-15 US disclosed
US-20100035833-A1 ANTIBIOTIC MACROCYCLE COMPOUNDS AND METHODS OF MNAUFACTURE AND USE THEREOF OPTIMER PHARMACEUTICALS, INC. (US) 2010-02-11 US disclosed
US-20100009925-A1 18-MEMBERED MACROCYCLES AND ANALOGS THEREOF MERCK SHARP & DOHME LLC 2010-01-14 US disclosed
US-20080269145-A1 18-Membered macrocycles and analogs thereof MERCK SHARP & DOHME LLC 2008-10-30 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 (6 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-20100009925-A1 18-MEMBERED MACROCYCLES AND ANALOGS THEREOF TIAL1, NISCH, COIL ABCB1 235/4885
US-20130252913-A1 18-Membered Macrocycles and Analogs Thereof TIAL1, NISCH, COIL ABCB1 235/4885
US-20120040922-A1 ANTIBIOTIC MACROCYCLE COMPOUNDS AND METHODS OF MANUFACTURE AND USE THEREOF VIP, TIAL1, GZMB ABCB1 238/4885
US-20100035833-A1 ANTIBIOTIC MACROCYCLE COMPOUNDS AND METHODS OF MNAUFACTURE AND USE THEREOF TIAL1, MLEC, VIP ABCB1 330/4885
US-20080269145-A1 18-Membered macrocycles and analogs thereof TIAL1, NISCH, COIL ABCB1 235/4885
US-20110166090-A1 18-Membered Macrocycles and Analogs Thereof TIAL1, NISCH, COIL ABCB1 235/4885

“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.