SCHEMBL6603564

SCHEMBL6603564

COC(=O)c1csc(-c2coc(CNC(=O)OC(C)(C)C)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
ABCB1 P08183 3/20 0.38
HPGDS O60760 1/20 0.38
DYRK1A Q13627 1/20 0.35
KDM4A O75164 1/20 0.33
ACKR3 P25106 1/20 0.33
SREBF2 Q12772 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL13342913 0.90 HDAC3 (0.46) HDAC3HDAC1HDAC6ACHEABCB1
SCHEMBL13342907 0.85 HDAC3 (0.41) HDAC3HDAC1HDAC6DYRK1AKDM4A
SCHEMBL3583656 0.81 KDM4A (0.40) KDM4AKDM4ELMNA
SCHEMBL6392541 0.78 HPGDS (0.47) HDAC3HDAC1HDAC6MAOAACHE
SCHEMBL2173142 0.77 HDAC3 (0.51) HDAC3HDAC1HDAC6MAOAACHE
SCHEMBL3586130 0.73 KDM4A (0.40) KDM4AKDM4ELMNA
SCHEMBL21191429 0.73 CYP2C19 (0.41) HDAC3HDAC1HDAC6ACHEALDH1A1
SCHEMBL6468245 0.72 KDM4A (0.42) KDM4AMAPTKDM4ELMNA
SCHEMBL14076071 0.71 ALDH1A1 (0.38) ACHEHPGDSALDH1A1KDM4E
SCHEMBL20691496 0.71 HDAC3 (0.66) HDAC3HDAC1HDAC6ACHEABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113305-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2010-05-06 US disclosed
US-20100113305-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2010-05-06 US disclosed
EP-1169311-A4 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES RHODE ISLAND EDUCATION (US) 2004-09-15 EP disclosed
EP-1169311-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES THE BOARD OF GOVERNORS FOR HIGHER EDUCATION STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2002-01-09 EP disclosed
WO-2000056724-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2000-09-28 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 (1 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-20100113305-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES OXA1L, SPOUT1, BCAT2 HDAC3 854/4885HDAC1 988/4885HDAC6 418/4885

“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.