SCHEMBL4807789

SCHEMBL4807789

Cn1c(=O)cc(S)n(CC(C)(C)C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.44
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.37
CYP3A4 P08684 1/20 0.37
PARG Q86W56 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3833932 0.79 ALDH1A1 (0.58) ALDH1A1HSD17B10GAACYP3A4MEN1
SCHEMBL5414578 0.79 ALDH1A1 (0.60) GRM2ALDH1A1SMN1; SMN2HSD17B10GAA
SCHEMBL4796757 0.79 GRM2 (0.44) GRM2ALDH1A1SMN1; SMN2HSD17B10GAA
SCHEMBL3827118 0.78 ALDH1A1 (0.47) ALDH1A1GAACYP3A4MEN1KMT2A
SCHEMBL3829961 0.75 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2HSD17B10GAACYP3A4
SCHEMBL4801216 0.72 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2GAACYP3A4PARG
SCHEMBL15693098 0.66 GRM2 (0.39) GRM2SMN1; SMN2GAACYP3A4
SCHEMBL625991 0.66 GRM2 (0.68) GRM2ALDH1A1GAAPARGMEN1
SCHEMBL18914559 0.64 ALDH1A1 (0.46) GRM2ALDH1A1GAA
SCHEMBL625951 0.64 GRM2 (0.65) GRM2PARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361660-B2 Chemical compounds ASTRAZENECA AB (SE) 2008-04-22 US disclosed
EP-1412362-B1 THIENO¬2,3-d|PYRIMIDINEDIONES AS INHIBITORS OF T-CELLS PROLIFERATION ASTRAZENECA AB (SE) 2006-08-02 EP disclosed
US-20040171623-A1 Chemical compounds ASTRAZENECA AB (SE) 2004-09-02 US disclosed
EP-1412362-A1 CHEMICAL COMPOUNDS Astrazeneca AB (SE) 2004-04-28 EP disclosed
WO-2003008422-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-01-30 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 (1 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-20040171623-A1 Chemical compounds CBR1, SETDB1, CBR3 GRM2 2924/4885ALDH1A1 401/4885SMN1; SMN2 3624/4885

“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.