SCHEMBL3583659

SCHEMBL3583659

COC(=O)c1coc(C(N)C(=O)OC(C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 2/20 0.35
DAGLA Q9Y4D2 1/20 0.34
FBP1 P09467 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
CACNA1G O43497 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL3586133 0.86 C3AR1 (0.36) C3AR1FBP1HDAC1HDAC8HDAC6
SCHEMBL27979112 0.83 C3AR1 (0.35) C3AR1DAGLAFBP1HDAC1HDAC8
SCHEMBL6389668 0.79 HDAC1 (0.44) HDAC1HDAC8HDAC6
SCHEMBL15214456 0.78 DAGLA (0.39) DAGLAFBP1HDAC1HDAC8HDAC6
SCHEMBL800880 0.78 DAGLA (0.39) DAGLAFBP1HDAC1HDAC8HDAC6
SCHEMBL13175023 0.78 DAGLA (0.39) DAGLAFBP1HDAC1HDAC8HDAC6
SCHEMBL1196600 0.78 CACNA1G (0.38) DAGLAFBP1LMNACACNA1GSLC6A2
SCHEMBL800494 0.77 KMT2A (0.48) C3AR1LMNAKMT2A
SCHEMBL3511397 0.77 KMT2A (0.48) C3AR1LMNAKMT2A
SCHEMBL15214452 0.77 C3AR1 (0.40) C3AR1DAGLALMNAKMT2A

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 6 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-20060161007-A1 Oxazole and thiazole combinatorial libraries M MARTIN LENORE 2006-07-20 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-A9 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES RHODE ISLAND EDUCATION (US) 2001-10-25 WO 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 (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-20100113305-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES OXA1L, SPOUT1, BCAT2 C3AR1 4040/4885DAGLA 4588/4885FBP1 4634/4885
US-20060161007-A1 Oxazole and thiazole combinatorial libraries OXA1L, SPOUT1, BCAT2 C3AR1 4040/4885DAGLA 4588/4885FBP1 4634/4885

“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.