SCHEMBL3591815

SCHEMBL3591815

CC(C)(C)OC(=O)OC(=O)[C@@H](N)Cc1cscn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41
OPRD1 P41143 1/20 0.39
SCN9A Q15858 1/20 0.35
GPR88 Q9GZN0 1/20 0.34
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC7A5 Q01650 1/20 0.31
SYK P43405 1/20 0.31
GPR142 Q7Z601 1/20 0.31
SLC6A3 Q01959 1/20 0.30
PKM P14618 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
SCHEMBL3136686 0.89 DPP4 (0.43) DPP4DPP8DPP9OPRD1SCN9A
SCHEMBL7299950 0.82 DPP4 (0.44) DPP4DPP8DPP9OPRD1GPR88
SCHEMBL3783139 0.79 DPP4 (0.45) DPP4DPP8DPP9OPRD1GPR88
SCHEMBL2736355 0.79 DPP4 (0.45) DPP4DPP8DPP9OPRD1GPR88
SCHEMBL19699150 0.79 DPP4 (0.45) DPP4DPP8DPP9OPRD1GPR88
SCHEMBL5735685 0.79 DPP4 (0.42) DPP4DPP8DPP9OPRD1GPR88
Hydrochloric Acid SCHEMBL7385109 0.78 DPP4 (0.44) DPP4DPP8DPP9OPRD1GPR88
Hydrochloric Acid SCHEMBL27505777 0.78 DPP4 (0.44) DPP4DPP8DPP9OPRD1GPR88
Hydrochloric Acid SCHEMBL7276844 0.78 DPP4 (0.44) DPP4DPP8DPP9OPRD1GPR88
Hydrochloric Acid SCHEMBL1631417 0.78 DPP4 (0.44) DPP4DPP8DPP9OPRD1GPR88

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 DPP4 154/4885DPP8 174/4885DPP9 170/4885
US-20060161007-A1 Oxazole and thiazole combinatorial libraries OXA1L, SPOUT1, BCAT2 DPP4 154/4885DPP8 174/4885DPP9 170/4885

“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.