SCHEMBL3586970

SCHEMBL3586970

COC(=O)c1nc(C(=O)OC(C)(C)C)oc1CN

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PDE4B Q07343 7/20 0.34
PDE11A Q9HCR9 4/20 0.34
PDE10A Q9Y233 3/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.31
CTSK P43235 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
SCHEMBL3586138 0.87 PDE4B (0.38) MAPK1PDE4BPDE11APDE10A
SCHEMBL3822928 0.72 NPSR1 (0.36) NPSR1MAPK1ALDH1A1KDM4EHPGD
SCHEMBL3578079 0.69 NPSR1 (0.38) NPSR1MAPK1ALDH1A1KDM4EHPGD
SCHEMBL18181477 0.66 NPSR1 (0.39) NPSR1ALDH1A1KDM4ELMNA
SCHEMBL7431624 0.64 FBP1 (0.32)
SCHEMBL14132996 0.62 NPSR1 (0.48) NPSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3822721 0.62 TARBP2 (0.47) MAPK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL630513 0.61 NPSR1 (0.33) NPSR1ALDH1A1LMNA
Bromide SCHEMBL3829777 0.61 TARBP2 (0.46) MAPK1ALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL3820081 0.61 TARBP2 (0.46) MAPK1ALDH1A1KDM4EHPGDHSD17B10

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 NPSR1 2380/4885MAPK1 2803/4885ALDH1A1 3668/4885
US-20060161007-A1 Oxazole and thiazole combinatorial libraries OXA1L, SPOUT1, BCAT2 NPSR1 2380/4885MAPK1 2803/4885ALDH1A1 3668/4885

“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.