SCHEMBL3586138

SCHEMBL3586138

CC(C)(C)OC(=O)c1nc(C(=O)O)c(CN)o1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.38
MAPK1 P28482 1/20 0.36
PDE11A Q9HCR9 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL3586970 0.87 NPSR1 (0.38) PDE4BMAPK1PDE11APDE10A
SCHEMBL3825946 0.71 PDE4B (0.38) PDE4BMAPK1
SCHEMBL3589425 0.68 COPS5 (0.36)
SCHEMBL3822928 0.64 NPSR1 (0.36) MAPK1
SCHEMBL13735586 0.63 ALDH1A1 (0.35)
SCHEMBL7431624 0.62 FBP1 (0.32)
SCHEMBL4686476 0.62 GRM6 (0.40)
SCHEMBL25014083 0.61 FBP1 (0.36) MAPK1
SCHEMBL23413478 0.61 GRM6 (0.33)
SCHEMBL28665621 0.61 XDH (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101768130-B Derivatives containing aminomethyl-5-membered aromatic heterocycle-4-carboxylic acid, preparation method, drug combination and application thereof TIANJIN INST PHARM RESEARCH 2012-07-04 CN disclosed
CN-101768130-A Derivatives containing aminomethyl-5-membered aromatic heterocycle-4-carboxylic acid, preparation method, drug combination and application thereof TIANJIN INST PHARM RESEARCH 2010-07-07 CN 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
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 PDE4B 3708/4885MAPK1 2803/4885PDE11A 3811/4885
US-20060161007-A1 Oxazole and thiazole combinatorial libraries OXA1L, SPOUT1, BCAT2 PDE4B 3708/4885MAPK1 2803/4885PDE11A 3811/4885

“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.