SCHEMBL8535486

SCHEMBL8535486

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GFER P55789 1/20 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
SCHEMBL4714065 0.86 TDP1 (0.52) TDP1GAAMEN1KMT2AMAOA
SCHEMBL3686909 0.85 TDP1 (0.44) TDP1GAAMEN1KMT2AMAOA
SCHEMBL14038535 0.85 TDP1 (0.53) TDP1GAAMEN1KMT2AMAOA
SCHEMBL13449260 0.83 TDP1 (0.51) TDP1GAAMEN1KMT2AMAOA
SCHEMBL5397743 0.83 GAA (0.53) TDP1GAAMEN1KMT2AMAOA
SCHEMBL4478336 0.83 MEN1 (0.45) TDP1GAAMEN1KMT2AMAOA
SCHEMBL28915654 0.83 TDP1 (0.51) TDP1GAAMEN1KMT2AMAOA
SCHEMBL17790280 0.83 TDP1 (0.51) TDP1GAAMEN1KMT2AMAOA
SCHEMBL13000099 0.82 TDP1 (0.50) TDP1GAAMEN1KMT2AMAOA
SCHEMBL7257304 0.81 TDP1 (0.46) TDP1GAAMEN1KMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893220-B2 Busulfan immunoassay SALADAX BIOMEDICAL INC. (US) 2011-02-22 US disclosed
US-20080275221-A1 Busulfan Immunoassay SHANGHAI FOSUN PHARMACEUTICAL (GROUP) CO., LTD. (CN) 2008-11-06 US disclosed
US-20080275221-A1 Busulfan Immunoassay SHANGHAI FOSUN PHARMACEUTICAL (GROUP) CO., LTD. (CN) 2008-11-06 US disclosed
US-7423131-B2 Busulfan immunoassay SALADAX BIOMEDICAL INC. (US) 2008-09-09 US disclosed
US-7423131-B2 Busulfan immunoassay SALADAX BIOMEDICAL INC. (US) 2008-09-09 US disclosed
US-20070077608-A1 Busulfan immunoassay SALADAX BIOMEDICAL INC. 2007-04-05 US disclosed
US-20070077608-A1 Busulfan immunoassay SALADAX BIOMEDICAL INC. 2007-04-05 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 (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-20080275221-A1 Busulfan Immunoassay TST, SHBG, HBG1 TDP1 2381/4885GAA 1912/4885MEN1 4696/4885
US-20070077608-A1 Busulfan immunoassay TST, SHBG, HBG1 TDP1 2381/4885GAA 1912/4885MEN1 4696/4885

“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.