SCHEMBL2501976

SCHEMBL2501976

CCCCCC=CCCCN(CC=O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
FABP5 Q01469 2/20 0.35
FABP7 O15540 1/20 0.35
SOAT2 O75908 1/20 0.34
SOAT1 P35610 1/20 0.34
EPHX2 P34913 1/20 0.34
TLR2 O60603 2/20 0.34

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
SCHEMBL2501975 1.00 KMT2A (0.36) KMT2AFABP5FABP7SOAT2SOAT1
SCHEMBL307644 0.91 KMT2A (0.41) KMT2AFABP5FABP7EPHX2TLR2
SCHEMBL29883728 0.91 KMT2A (0.41) KMT2AFABP5FABP7EPHX2TLR2
SCHEMBL2499585 0.85 TLR2 (0.36) KMT2AFABP5FABP7TLR2
SCHEMBL2499582 0.85 TLR2 (0.36) KMT2AFABP5FABP7TLR2
SCHEMBL28416919 0.84 KMT2A (0.40) KMT2AFABP5FABP7EPHX2TLR2
SCHEMBL6285017 0.82 KMT2A (0.40) KMT2AFABP5FABP7EPHX2TLR2
SCHEMBL15020545 0.78 TLR2 (0.39) KMT2AFABP5FABP7SOAT2SOAT1
SCHEMBL4951862 0.78 KMT2A (0.42) KMT2ASOAT2SOAT1EPHX2TLR2
SCHEMBL725370 0.78 TLR2 (0.39) KMT2AFABP5FABP7SOAT2SOAT1

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 17 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

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 KMT2A 4618/4885FABP5 3103/4885FABP7 4367/4885
US-20050239690-A1 Intermediate for preparing glycopeptide derivatives GYPA, MGAT3, RDX KMT2A 4596/4885FABP5 3434/4885FABP7 4643/4885
US-20090215982-A1 GLYCOPEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME GYPA, RDX, VIP KMT2A 4618/4885FABP5 3103/4885FABP7 4367/4885
US-20040204346-A1 Intermediate for preparing glycopeptide derivatives NGLY1, FUT6, ST3GAL3 KMT2A 4082/4885FABP5 919/4885FABP7 2178/4885
US-20030008812-A1 Glycopeptide derivatives MGAT3, GYPA, GIPR KMT2A 4608/4885FABP5 2718/4885FABP7 3062/4885
US-20060241024-A1 Intermediate for preparing glycopeptide derivatives B3GAT3, ST3GAL3, OGT KMT2A 4309/4885FABP5 760/4885FABP7 2448/4885
US-20030060598-A1 Glycopeptide derivatives and pharmaceutical compositions containing the same GYPA, RDX, MGAT3 KMT2A 4792/4885FABP5 3054/4885FABP7 3393/4885

“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.