SCHEMBL2497316

SCHEMBL2497316

CCCCC/C=C/CCCNCC(OC)OC

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.42
TRPV1 Q8NER1 2/20 0.42
PPARA Q07869 1/20 0.38

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
SCHEMBL2497320 1.00 FAAH (0.42) FAAHTRPV1PPARA
SCHEMBL1532449 0.83 TSHR (0.50)
SCHEMBL10495800 0.83 TSHR (0.50)
SCHEMBL1668578 0.83 TSHR (0.50)
SCHEMBL987948 0.83 TSHR (0.50)
SCHEMBL6055711 0.82 TSHR (0.46)
Hydrochloric Acid SCHEMBL28147327 0.81 TSHR (0.48)
SCHEMBL9236626 0.75 FAAH (0.45) FAAHTRPV1
SCHEMBL34463867 0.73 FAAH (0.48) FAAHTRPV1PPARA
SCHEMBL5974308 0.73 FAAH (0.48) FAAHTRPV1PPARA

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-8030445-B2 Glycopeptide derivative THERAVANCE, INC. (US) 2011-10-04 US disclosed
US-7723470-B2 Glycopeptide derivatives and pharmaceutical compositions containing the same THERAVANCE, INC. (US) 2010-05-25 US disclosed
US-20090215982-A1 GLYCOPEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CUMBERLAND PHARMACEUTICALS INC. 2009-08-27 US disclosed
US-20080103292-A1 Glycopeptide derivatives and pharmaceutical compositions containing the same CUMBERLAND PHARMACEUTICALS INC. 2008-05-01 US disclosed
US-7351791-B2 Intermediate for preparing glycopeptide derivatives THERAVANCE, INC. (US) 2008-04-01 US disclosed
US-20060241024-A1 Intermediate for preparing glycopeptide derivatives CUMBERLAND PHARMACEUTICALS INC. 2006-10-26 US disclosed
US-7101964-B2 Intermediate for preparing glycopeptide derivatives THERAVANCE, INC. (US) 2006-09-05 US disclosed
US-6962970-B2 Glycopeptide derivatives and pharmaceutical compositions containing the same THERAVANCE, INC. (US) 2005-11-08 US disclosed
US-20050239690-A1 Intermediate for preparing glycopeptide derivatives CUMBERLAND PHARMACEUTICALS INC. 2005-10-27 US disclosed
US-6949681-B2 Intermediate for preparing glycopeptide derivatives THERAVANCE, INC. (US) 2005-09-27 US disclosed
US-20040204346-A1 Intermediate for preparing glycopeptide derivatives CUMBERLAND PHARMACEUTICALS INC. 2004-10-14 US disclosed
EP-1140993-B1 GLYCOPEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME THERAVANCE INC (US) 2003-06-11 EP disclosed
US-20030060598-A1 Glycopeptide derivatives and pharmaceutical compositions containing the same CUMBERLAND PHARMACEUTICALS INC. 2003-03-27 US disclosed
US-20030008812-A1 Glycopeptide derivatives THERAVANCE, INC. 2003-01-09 US disclosed
US-6455669-B1 GLYCOPROTEIN FOR USE IN THE TREATMENT AND PREVENTION OF BACTERIAL INFECTIONS THERAVANCE, INC. 2002-09-24 US disclosed
US-6444786-B1 BACTERICIDES ADVANCED MEDICINE, INC. 2002-09-03 US disclosed
US-6392012-B1 COMPOUND FOR USE IN TREATMENT AND PREVENTION OF BACTERIAL INFECTION ADVANCED MEDICINE, INC. 2002-05-21 US disclosed
EP-1140993-A1 GLYCOPEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Advanced Medicine, Inc. (US) 2001-10-10 EP disclosed
WO-2000039156-A1 GLYCOPEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME ADVANCED MEDICINE, INC. (US) 2000-07-06 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 (7 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-20080103292-A1 Glycopeptide derivatives and pharmaceutical compositions containing the same GYPA, RDX, VIP FAAH 4869/4885TRPV1 3847/4885PPARA 3590/4885
US-20050239690-A1 Intermediate for preparing glycopeptide derivatives GYPA, MGAT3, RDX FAAH 4872/4885TRPV1 4425/4885PPARA 4357/4885
US-20090215982-A1 GLYCOPEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME GYPA, RDX, VIP FAAH 4869/4885TRPV1 3847/4885PPARA 3590/4885
US-20040204346-A1 Intermediate for preparing glycopeptide derivatives NGLY1, FUT6, ST3GAL3 FAAH 4194/4885TRPV1 4068/4885PPARA 4038/4885
US-20030008812-A1 Glycopeptide derivatives MGAT3, GYPA, GIPR FAAH 4848/4885TRPV1 4601/4885PPARA 3832/4885
US-20060241024-A1 Intermediate for preparing glycopeptide derivatives B3GAT3, ST3GAL3, OGT FAAH 4558/4885TRPV1 4065/4885PPARA 4324/4885
US-20030060598-A1 Glycopeptide derivatives and pharmaceutical compositions containing the same GYPA, RDX, MGAT3 FAAH 4706/4885TRPV1 3844/4885PPARA 3607/4885

“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.