SCHEMBL4460974

SCHEMBL4460974

CC(C)(C)OC(=O)NC(C=O)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.56
PTPN1 P18031 2/20 0.55
CAPN1 P07384 2/20 0.55
ATM Q13315 1/20 0.52
PPARG P37231 2/20 0.51
YAP1 P46937 3/20 0.51
CTSB P07858 2/20 0.50
HDAC8 Q9BY41 1/20 0.49
PPARA Q07869 1/20 0.49
REN P00797 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
CTSK P43235 1/20 0.48
LTA4H P09960 1/20 0.48

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
SCHEMBL5353421 1.00 BCL2 (0.56) BCL2PTPN1CAPN1ATMPPARG
SCHEMBL272162 1.00 BCL2 (0.56) BCL2PTPN1CAPN1ATMPPARG
SCHEMBL15565812 0.91 RXRA (0.53) BCL2PTPN1CAPN1PPARGHDAC8
SCHEMBL390555 0.89 ATM (0.62) CAPN1ATMCTSBCTSK
SCHEMBL7094 0.89 ATM (0.62) CAPN1ATMCTSBCTSK
SCHEMBL1094506 0.89 ATM (0.62) CAPN1ATMCTSBCTSK
SCHEMBL14423620 0.89 PTPN1 (0.55) BCL2PTPN1ATMPPARGYAP1
SCHEMBL16991080 0.88 NPC1 (0.51) BCL2PTPN1CAPN1ITGB3ITGA2B
SCHEMBL16991078 0.88 NPC1 (0.51) BCL2PTPN1CAPN1ITGB3ITGA2B
SCHEMBL15414385 0.88 PTPN1 (0.57) BCL2PTPN1ATMPPARGYAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110099682-B Coupled connector, cell binding molecule-drug conjugate containing same, and preparation and application thereof 杭州多禧生物科技有限公司 2023-03-31 CN disclosed
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-05 US disclosed
EP-1931657-B1 NOVEL HIGH AFFINITY QUINOLINE-BASED KINASE LIGANDS MERCK SHARP & DOHME (US) 2013-12-25 EP disclosed
US-7511063-B2 High affinity quinoline-based kinase ligands SCHERING CORPORATION (US) 2009-03-31 US disclosed
EP-1931657-A2 NOVEL HIGH AFFINITY QUINOLINE-BASED KINASE LIGANDS SCHERING CORPORATION (US) 2008-06-18 EP disclosed
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands SCHERING CORPORATION 2008-02-21 US disclosed
US-7253194-B2 Compounds and inhibitors of phospholipases THE UNIVERSITY OF QUEENSLAND (AU) 2007-08-07 US disclosed
US-7253194-B2 Compounds and inhibitors of phospholipases THE UNIVERSITY OF QUEENSLAND (AU) 2007-08-07 US disclosed
WO-2007022241-A2 NOVEL HIGH AFFINITY QUINOLINE-BASED KINASE LIGANDS SCHERING CORPORATION (US) 2007-02-22 WO disclosed
EP-1309552-A4 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES UNIV QUEENSLAND (AU) 2005-07-20 EP disclosed
US-20040033995-A1 Compounds and inhibitors of phospholipases QUEENSLAND, THE UNIVERSITY OF (AU) 2004-02-19 US disclosed
EP-1309552-A1 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES THE UNIVERSITY OF QUEENSLAND (AU) 2003-05-14 EP disclosed
WO-2002008189-A1 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES THE UNIVERSITY OF QUEENSLAND (AU) 2002-01-31 WO disclosed
CN-1142830-A Macrocyclic difluorostatone derivatives useful as antiviral agents MERRELL DOW PHARMA (US) 1997-02-12 CN disclosed
EP-0665215-A1 1,4-Diamino-2,3-dihydroxybutanes THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-08-02 EP disclosed
US-5430155-A Viricides, treatment of AIDS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-04 US disclosed
US-5294720-A Viricides THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1994-03-15 US disclosed
WO-1991018866-A2 1,4-DIAMINO-2,3-DIHYDROXYBUTANES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-12-12 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 (3 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-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 BCL2 307/4885PTPN1 2395/4885CAPN1 1355/4885
US-20040033995-A1 Compounds and inhibitors of phospholipases PLA2G4C, PLA2G4B, PLA2G4A BCL2 2789/4885PTPN1 1814/4885CAPN1 1031/4885
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands CDKL2, CDK2, CDKL1 BCL2 2231/4885PTPN1 2030/4885CAPN1 3779/4885

“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.