SCHEMBL5138856

SCHEMBL5138856

CCCn1c(=O)n(C)c(=O)c2c(C(=O)N3CC(C)(O)CO3)c(Cc3c(C)n[nH]c3C)sc21

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 18/20 0.59
CYP2C9 P11712 11/20 0.59
CYP3A4 P08684 9/20 0.59
SLC16A3 O15427 1/20 0.59
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC16A7 O60669 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
SCHEMBL5093575 1.00 SLC16A1 (0.59) SLC16A1CYP2C9CYP3A4SLC16A3KDM4E
SCHEMBL5093462 0.91 SLC16A1 (0.73) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL14077694 0.87 SLC16A1 (0.57) SLC16A1CYP2C9CYP3A4SLC16A3
SCHEMBL5096870 0.87 SLC16A1 (0.54) SLC16A1CYP2C9CYP3A4SLC16A3
SCHEMBL3828110 0.84 SLC16A1 (0.82) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3828105 0.84 SLC16A1 (0.82) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3850613 0.80 SLC16A1 (0.55) SLC16A1CYP2C9CYP3A4SLC16A3LMNA
SCHEMBL3850616 0.79 SLC16A1 (0.54) SLC16A1CYP2C9CYP3A4SLC16A3LMNA
SCHEMBL5232053 0.79 SLC16A3 (0.43) SLC16A1CYP2C9CYP3A4SLC16A3
Azd3965 SCHEMBL2875156 0.79 SLC16A1 (0.48) SLC16A1CYP2C9CYP3A4SLC16A3

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 1 patent. 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 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.