SCHEMBL8097883

SCHEMBL8097883

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 4/20 0.41
CA14 Q9ULX7 2/20 0.41
CA1 P00915 4/20 0.40
CA9 Q16790 2/20 0.40
EPHX1 P07099 1/20 0.40
CA7 P43166 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
APLNR P35414 1/20 0.37

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
SCHEMBL18902256 0.83 TDP1 (0.46) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL125503 0.82 TDP1 (0.52) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL4714065 0.82 TDP1 (0.52) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL14218311 0.81 TDP1 (0.52) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL10004845 0.80 TDP1 (0.50) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL959018 0.80 TDP1 (0.50) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL27429142 0.80 TDP1 (0.50) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL3187413 0.80 TDP1 (0.50) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL523837 0.80 CA2 (0.59) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL17906 0.80 MEN1 (0.52) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362015-B2 Aminoacyl prodrug derivatives and medicaments for treatment of thromboembolic disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-29 US disclosed
US-8362015-B2 Aminoacyl prodrug derivatives and medicaments for treatment of thromboembolic disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-29 US disclosed
EP-2084154-B1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR TREATMENT OF THROMBOEMBOLIC DISORDERS BAYER IP GMBH (DE) 2012-11-21 EP disclosed
WO-2011159067-A2 THIAZOLE DERIVATIVES AS SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2011-12-22 WO disclosed
US-20100292230-A1 Aminoacyl prodrug derivatives and medicaments for treatment of thromboembolic disorders BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-18 US disclosed
US-20100292230-A1 Aminoacyl prodrug derivatives and medicaments for treatment of thromboembolic disorders BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-18 US disclosed
US-20100273789-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-28 US disclosed
US-20100273789-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-28 US disclosed
WO-2009007026-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
WO-2008022786-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR TREATMENT OF THROMBOEMBOLIC DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-28 WO disclosed
WO-2007068474-A1 (2,5-DIOXOIMIDAZOLIDIN-I-YL)-N-HYDROXY-ACETAMIDES AS METALLOPROTEINASE INHIBITORS MEDIVIR AB (SE) 2007-06-21 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-20100273789-A1 AMINOACYL PRODRUGS AADAC, DNPEP, AADAT TDP1 555/4885MAOA 677/4885MAOB 889/4885
US-20100292230-A1 Aminoacyl prodrug derivatives and medicaments for treatment of thromboembolic disorders AADAC, AADAT, DNPEP TDP1 765/4885MAOA 571/4885MAOB 498/4885

“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.