SCHEMBL5101424

SCHEMBL5101424

CC(C)n1c(=O)n(C)c(=O)c2c(C(=O)N3C[C@H](O)CO3)c(CCn3nnc4ccccc43)sc21

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 16/20 0.57
CYP2C9 P11712 13/20 0.57
CYP3A4 P08684 9/20 0.57
SLC16A3 O15427 1/20 0.46
SLC16A7 O60669 1/20 0.38
APAF1 O14727 1/20 0.33
POLB P06746 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33

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
SCHEMBL3829850 0.93 SLC16A1 (0.61) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL5101421 0.83 SLC16A1 (0.51) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3832047 0.83 SLC16A1 (0.74) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3832045 0.83 SLC16A1 (0.74) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3826481 0.81 SLC16A1 (0.69) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3826474 0.81 SLC16A1 (0.69) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3826802 0.81 SLC16A1 (0.69) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3826800 0.81 SLC16A1 (0.69) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3829661 0.81 SLC16A1 (0.84) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3829663 0.81 SLC16A1 (0.84) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7

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-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease ASTRAZENECA AB (SE) 2008-08-28 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-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease C5, TPMT, C9 SLC16A1 3369/4885CYP2C9 71/4885CYP3A4 103/4885

“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.