SCHEMBL3578079

SCHEMBL3578079

COC(=O)c1nc(C(=O)OC(C)(C)C)sc1CN

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 3/20 0.32
LOXL2 Q9Y4K0 1/20 0.31
TSHR P16473 2/20 0.31
RAF1 P04049 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
RCE1 Q9Y256 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30
ATM Q13315 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
SCHEMBL3589425 0.87 COPS5 (0.36)
SCHEMBL5987209 0.84 FBP1 (0.30)
SCHEMBL5987515 0.82 FBP1 (0.31)
SCHEMBL23413365 0.78 NPSR1 (0.41) NPSR1L3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4294371 0.78 NPSR1 (0.41) NPSR1L3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5988031 0.76
SCHEMBL4686476 0.70 GRM6 (0.40) ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD
SCHEMBL23413478 0.69 GRM6 (0.33) ALDH1A1LMNA
SCHEMBL27754067 0.69 GRM6 (0.36) ALDH1A1HPGD
SCHEMBL3586970 0.69 NPSR1 (0.38) NPSR1ALDH1A1KDM4EHSD17B10HPGD

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 2380/4885L3MBTL1 863/4885ALDH1A1 3668/4885
US-20060161007-A1 Oxazole and thiazole combinatorial libraries OXA1L, SPOUT1, BCAT2 NPSR1 2380/4885L3MBTL1 863/4885ALDH1A1 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.