SCHEMBL4714065

SCHEMBL4714065

CC(C)(C)OC(=O)NCC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
CA2 P00918 4/20 0.43
CA12 O43570 4/20 0.43
CA14 Q9ULX7 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
CA1 P00915 4/20 0.42
CA9 Q16790 2/20 0.42
EPHX1 P07099 1/20 0.42
CA7 P43166 2/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
APLNR P35414 1/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39

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
SCHEMBL23100235 0.92 TDP1 (0.46) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL12475088 0.92 MEN1 (0.47) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL22730760 0.90 MAOA (0.50) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL1696854 0.89 TDP1 (0.47) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL14218311 0.89 TDP1 (0.52) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL13306481 0.87 TDP1 (0.46) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL15931183 0.87 TDP1 (0.46) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL13000099 0.87 TDP1 (0.50) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL15228711 0.87 TDP1 (0.46) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL5346481 0.87 MEN1 (0.47) TDP1MAOAMAOBMEN1KMT2A

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260008777-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2026-01-08 US disclosed
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2022-12-29 US disclosed
WO-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 WO disclosed
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2019-06-18 US disclosed
EP-1465889-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2017-03-22 EP disclosed
WO-2016196393-A2 AUTOPHAGY-INHIBITING COMPOUNDS AND USES THEREOF PRESAGE BIOSCIENCES, INC. (US) 2016-12-08 WO disclosed
US-20160228413-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2016-08-11 US disclosed
EP-2673281-B1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF REMPEX PHARMACEUTICALS INC (US) 2016-04-13 EP disclosed
US-20150038509-A1 Chemokine Receptor Binding Heterocyclic Compounds With Enhanced Efficacy ANORMED, INC. (CA) 2015-02-05 US disclosed
US-8933018-B2 Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-20060276506-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-12-07 US disclosed
US-20060100240-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2006-05-11 US disclosed
EP-1628533-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2006-03-01 EP disclosed
WO-2004106493-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2004-12-09 WO disclosed
EP-1465889-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY AnorMED Inc. (CA) 2004-10-13 EP disclosed
US-20040019058-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2004-01-29 US disclosed
US-20030220341-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED, INC. (CA) 2003-11-27 US disclosed
WO-2003055876-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2003-07-10 WO disclosed
US-5712417-A Inhibitors of retroviral proteases ABBOTT LABORATORIES (US) 1998-01-27 US disclosed
EP-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 EP 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 (9 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-20260008777-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE PTPRO, PTPRC, PTPRR TDP1 848/4885MAOA 673/4885MAOB 1011/4885
US-20030220341-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 TDP1 4428/4885MAOA 4777/4885MAOB 4650/4885
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 TDP1 4428/4885MAOA 4777/4885MAOB 4650/4885
US-20060276506-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 TDP1 1779/4885MAOA 1487/4885MAOB 1312/4885
US-20060100240-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 TDP1 4428/4885MAOA 4777/4885MAOB 4650/4885
US-20150038509-A1 Chemokine Receptor Binding Heterocyclic Compounds With Enhanced Efficacy CCR5, CXCR4, CXCR3 TDP1 4428/4885MAOA 4777/4885MAOB 4650/4885
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 TDP1 4428/4885MAOA 4777/4885MAOB 4650/4885
US-20160228413-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 TDP1 4428/4885MAOA 4777/4885MAOB 4650/4885
US-20040019058-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 TDP1 4428/4885MAOA 4777/4885MAOB 4650/4885

“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.