SCHEMBL97175

SCHEMBL97175

CCCC(N)(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
FABP5 Q01469 3/20 0.45
FABP7 O15540 2/20 0.45
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
EPHX2 P34913 1/20 0.41
CASP3 P42574 1/20 0.39
POLB P06746 1/20 0.38
MDM4 O15151 1/20 0.38
TP53 P04637 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
SCHEMBL1001837 1.00 KMT2A (0.46) KMT2AFABP5FABP7CA1CA2
SCHEMBL31049529 0.92 KMT2A (0.44) KMT2AFABP5FABP7CA1CA2
SCHEMBL1746631 0.92 KMT2A (0.44) KMT2AFABP5FABP7CA1CA2
SCHEMBL30945369 0.90 KMT2A (0.45) KMT2AFABP5FABP7
SCHEMBL30945375 0.90 KMT2A (0.45) KMT2AFABP5FABP7
SCHEMBL30945377 0.90 KMT2A (0.45) KMT2AFABP5FABP7
SCHEMBL2182540 0.90 KMT2A (0.45) KMT2AFABP5FABP7
SCHEMBL18614183 0.90 KMT2A (0.45) KMT2AFABP5FABP7
SCHEMBL2182772 0.90 KMT2A (0.45) KMT2AFABP5FABP7
SCHEMBL4747100 0.90 KMT2A (0.45) KMT2AFABP5FABP7

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
WO-2023122945-A1 CYCLIC POLYPEPTIDE COMPOUNDS AND USES THEREOF 知和(山东)大药厂有限公司 2023-07-06 WO disclosed
CN-114057839-A Cyclic polypeptide compound and use thereof 石家庄创肽生物医药科技有限公司 2022-02-18 CN disclosed
EP-2426139-B1 CXCR4 antagonist and use thereof BIOKINE THERAPEUTICS LTD (IL) 2014-10-01 EP disclosed
US-8410059-B2 CXCR4 antagonist and use thereof BIOKINE THERAPEUTICS LTD. (IL) 2013-04-02 US disclosed
EP-1541585-B1 CXCR4 ANTAGONIST AND USE THEREOF BIOKINE THERAPEUTICS LTD (IL) 2013-01-30 EP disclosed
EP-2426139-A1 CXCR4 antagonist and use thereof Biokine Therapeutics Ltd. (IL) 2012-03-07 EP disclosed
US-20110269686-A1 CXCR4 ANTAGONIST AND USE THEREOF BIOKINE THERAPEUTICS LTD. (IL) 2011-11-03 US disclosed
US-8017585-B2 CXCR4 antagonist and use thereof BIOKINE THERAPEUTICS LTD. (IL) 2011-09-13 US disclosed
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP disclosed
US-20090181897-A1 CXCR4 ANTAGONIST AND USE THEREOF BIOKINE THERAPEUTICS LTD. (IL) 2009-07-16 US disclosed
US-7423007-B2 Cxcr4 antagonist and use thereof BIOKINE THERAPEUTICS LTD. (IL) 2008-09-09 US disclosed
US-20060264378-A1 Cxcr4 antagonist and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-23 US disclosed
EP-1656390-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2006-05-17 EP disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US disclosed
EP-1541585-A1 CXCR4 ANTAGONIST AND USE THEREOF Fujii, Nobutaka (JP) 2005-06-15 EP disclosed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 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 (4 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-20090181897-A1 CXCR4 ANTAGONIST AND USE THEREOF CXCR4, ACKR3, CXCR1 KMT2A 1987/4885FABP5 1741/4885FABP7 3192/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 KMT2A 4429/4885FABP5 1318/4885FABP7 2995/4885
US-20060264378-A1 Cxcr4 antagonist and use thereof CXCR4, ACKR3, CXCR1 KMT2A 1987/4885FABP5 1741/4885FABP7 3192/4885
US-20110269686-A1 CXCR4 ANTAGONIST AND USE THEREOF CXCR4, ACKR3, CXCR1 KMT2A 1987/4885FABP5 1741/4885FABP7 3192/4885

“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.