SCHEMBL5140499

SCHEMBL5140499

CC(C)n1c(=O)n(C)c(=O)c2c(C(=O)N3CC(C)(O)CO3)c(Cn3nnc4ccccc43)sc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 17/20 0.45
CYP2C9 P11712 10/20 0.45
CYP3A4 P08684 8/20 0.45
SLC16A7 O60669 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APAF1 O14727 1/20 0.33
POLB P06746 1/20 0.33
SLC16A3 O15427 1/20 0.32

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
SCHEMBL5097141 1.00 SLC16A1 (0.45) SLC16A1CYP2C9CYP3A4SLC16A7MEN1
SCHEMBL14077740 0.86 SLC16A1 (0.37) SLC16A1CYP2C9CYP3A4SLC16A3
SCHEMBL3829850 0.85 SLC16A1 (0.61) SLC16A1CYP2C9CYP3A4SLC16A7MEN1
SCHEMBL3832916 0.82 SLC16A1 (0.45) SLC16A1CYP2C9CYP3A4MEN1GAA
SCHEMBL5093556 0.81 SLC16A1 (0.37) SLC16A1CYP2C9CYP3A4SLC16A3
SCHEMBL5101424 0.79 SLC16A1 (0.57) SLC16A1CYP2C9CYP3A4SLC16A7APAF1
SCHEMBL5097071 0.78 SLC16A1 (0.42) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL5097036 0.78 SLC16A1 (0.43) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL5106362 0.77 SLC16A1 (0.41) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL5097085 0.77 SLC16A1 (0.40) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214579-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2008-09-04 US claimed
US-20080214579-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2008-09-04 US 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-20080214579-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE TPMT, TYMP, TYMS SLC16A1 3968/4885CYP2C9 419/4885CYP3A4 494/4885

“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.