SCHEMBL3515002

SCHEMBL3515002

O=C(O)CC(=O)CCC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
EPHX2 P34913 1/20 0.47
CASP3 P42574 3/20 0.45
FABP7 O15540 2/20 0.43
FABP5 Q01469 2/20 0.43
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL4557899 1.00 KMT2A (0.68) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL28429395 0.97 KMT2A (0.71) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL31270657 0.97 KMT2A (0.71) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL29397906 0.88 KMT2A (0.81) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL29423575 0.88 KMT2A (0.81) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL178687 0.88 KMT2A (0.81) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL12291373 0.86 KMT2A (0.62) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL18290276 0.86 KMT2A (0.65) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL3140809 0.84 KMT2A (0.73) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL13525077 0.84 KMT2A (0.73) KMT2AEPHX2CASP3FABP7FABP5

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
CN-108699126-A G L P-1 derivative and application thereof 诺和诺德股份有限公司 2018-10-23 CN disclosed
CN-103403177-B Sensor 弗里堡大学 2018-08-14 CN disclosed
CN-107108714-A Derivatives of GLP 1 and application thereof 诺和诺德股份有限公司 2017-08-29 CN disclosed
CN-106999602-A GLP-1 derivatives and uses thereof 诺和诺德股份有限公司 2017-08-01 CN disclosed
CN-103003300-B Peptide conjugates of GLP-1 receptor agonists and gastrin and uses thereof 西兰制药公司 2017-06-09 CN disclosed
CN-106536547-A GLP-1/glucagon receptor co-agonists for medical use 诺和诺德股份有限公司 2017-03-22 CN disclosed
US-8598314-B2 Peptide-peptidase-inhibitor conjugates and methods of making and using same AMYLIN PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
US-20100286365-A1 PEPTIDE-PEPTIDASE-INHIBITOR CONJUGATES AND METHODS OF MAKING AND USING SAME AMYLIN PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
CN-101784562-A insulin analogues with an acyl and aklylene glycol moiety NOVO NORDISK AS 2010-07-21 CN disclosed
EP-2195034-A2 PEPTIDE-PEPTIDASE INHIBITOR CONJUGATES AND METHODS OF MAKING AND USING SAME Amylin Pharmaceuticals, Inc. (US) 2010-06-16 EP disclosed
WO-2009042922-A2 PEPTIDE-PEPTIDASE INHIBITOR CONJUGATES AND METHODS OF MAKING AND USING SAME AMYLIN PHARMACEUTICALS, INC. (US) 2009-04-02 WO disclosed
EP-1078002-B1 PEPTIDE ANTIANGIOGENIC DRUGS ABBOTT LAB (US) 2008-05-21 EP disclosed
US-20050124548-A1 Peptide antiangiogenic drugs HENKIN JACK (US) 2005-06-09 US disclosed
US-6774211-B1 Peptide antiangiogenic drugs ABBOTT LABORATORIES 2004-08-10 US disclosed
US-6716963-B1 OLIGOPEPTIDES ABBOTT LABORATORIES 2004-04-06 US disclosed
EP-1078002-A1 PEPTIDE ANTIANGIOGENIC DRUGS ABBOTT LABORATORIES (US) 2001-02-28 EP disclosed
WO-1999061476-A1 PEPTIDE ANTIANGIOGENIC DRUGS ABBOTT LABORATORIES (US) 1999-12-02 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 (2 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-20050124548-A1 Peptide antiangiogenic drugs VEGFA, NPPA, FLT1 KMT2A 3649/4885EPHX2 3443/4885CASP3 167/4885
US-20100286365-A1 PEPTIDE-PEPTIDASE-INHIBITOR CONJUGATES AND METHODS OF MAKING AND USING SAME DNPEP, PEPD, VIP KMT2A 2595/4885EPHX2 1866/4885CASP3 1124/4885

“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.