SCHEMBL569251

SCHEMBL569251

CC(C)(C)OC(=O)NCCCNC(=O)OC(C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.74
MEN1 O00255 1/20 0.69
GAA P10253 1/20 0.69
KMT2A Q03164 1/20 0.69
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62
CA1 P00915 10/20 0.59
CA2 P00918 10/20 0.59
CA12 O43570 7/20 0.59
CA9 Q16790 7/20 0.59
STK17B O94768 1/20 0.51
STK17A Q9UEE5 1/20 0.51
EPHX1 P07099 1/20 0.50
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL3020258 0.95 TDP1 (0.81) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1557057 0.94 TDP1 (0.67) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3910909 0.94 TDP1 (0.67) TDP1MEN1GAAKMT2AMAOA
SCHEMBL343629 0.93 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL137629 0.93 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL134329 0.93 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL136815 0.93 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3025184 0.93 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL5162656 0.93 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL343419 0.93 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539343-B1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INTERNAT GMBH (DE) 2015-12-30 EP claimed
US-8853193-B2 Thienopyrimidines containing a substituted alkyl group for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US claimed
CN-118843616-A Benzamide compounds for the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-10-25 CN disclosed
CN-118829423-A Compositions for delivery of payload molecules to airway epithelium 摩登纳特斯有限公司 2024-10-22 CN disclosed
CN-116348147-A Compositions for delivery of payload molecules to airway epithelium 摩登纳特斯有限公司 2023-06-27 CN disclosed
EP-2970586-B1 AMINE FUNCTIONAL POLYAMIDES GENZYME CORP (US) 2022-12-07 EP disclosed
EP-2968231-B1 ANTIMICROBIAL POLYAMIDE COMPOSITIONS AND MASTITIS TREATMENT BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-07-01 EP disclosed
CN-106164072-B Monocyclic lactam organic compounds for the treatment of bacterial infections 诺华股份有限公司 2019-10-01 CN disclosed
EP-2968231-A1 ANTIMICROBIAL POLYAMIDE COMPOSITIONS AND MASTITIS TREATMENT Merial, Inc. (US) 2016-01-20 EP disclosed
EP-2970586-A1 AMINE FUNCTIONAL POLYAMIDES Genzyme Corporation (US) 2016-01-20 EP disclosed
EP-2539343-B1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INTERNAT GMBH (DE) 2015-12-30 EP disclosed
US-20120035140-A1 CARBAMOYLPHOSPHONATES AS INHIBITORS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2012-02-09 US disclosed
US-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
US-20110033799-A1 PATTERN FORMING PROCESS, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND RESIST-MODIFYING COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-02-10 US disclosed
US-20100297563-A1 RESIST-MODIFYING COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-11-25 US disclosed
US-20100297554-A1 RESIST-MODIFYING COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-11-25 US disclosed
US-20100297554-A1 RESIST-MODIFYING COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-11-25 US disclosed
US-20090061024-A1 COMPOSITIONS AND METHODS EMPLOYING NMDA ANTAGONISTS FOR ACHIEVING AN ANESTHETIC-SPARING EFFECT WYETH (US) 2009-03-05 US 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 (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-20120035140-A1 CARBAMOYLPHOSPHONATES AS INHIBITORS AND USES THEREOF MMP9, MMP26, MMP25 TDP1 893/4885MEN1 2162/4885GAA 105/4885
US-20090061024-A1 COMPOSITIONS AND METHODS EMPLOYING NMDA ANTAGONISTS FOR ACHIEVING AN ANESTHETIC-SPARING EFFECT GRIN3A, GRIN1, GRIN2A TDP1 2518/4885MEN1 4316/4885GAA 4795/4885
US-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS CMPK1, DTYMK, NEK2 TDP1 412/4885MEN1 1312/4885GAA 1771/4885

“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.