SCHEMBL3847698

SCHEMBL3847698

CC(C)n1c(=O)n(C)c(=O)c2c(C(=O)O)c(Cn3c(CO)nc4ccccc43)sc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 7/20 0.51
CYP2C9 P11712 4/20 0.51
CYP3A4 P08684 3/20 0.51
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TNF P01375 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AGTR1 P30556 2/20 0.37
AGTR2 P50052 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3826392 0.91 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4KMT2AKDM4E
SCHEMBL3834003 0.89 SLC16A1 (0.62) SLC16A1CYP2C9CYP3A4ALDH1A1
SCHEMBL3827112 0.89 SLC16A1 (0.51) SLC16A1CYP2C9CYP3A4KMT2APOLB
SCHEMBL3828076 0.88 SLC16A1 (0.65) SLC16A1CYP2C9CYP3A4KMT2AKDM4E
SCHEMBL3833114 0.87 SLC16A1 (0.50) SLC16A1CYP2C9CYP3A4KMT2AKDM4E
SCHEMBL3832814 0.87 CYP2C9 (0.51) SLC16A1CYP2C9CYP3A4KMT2AKDM4E
SCHEMBL3829524 0.86 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4KMT2ALMNA
SCHEMBL14163915 0.86 SLC16A1 (0.54) SLC16A1CYP2C9CYP3A4KMT2AKDM4E
SCHEMBL3826802 0.84 SLC16A1 (0.69) SLC16A1CYP2C9CYP3A4
SCHEMBL3826800 0.84 SLC16A1 (0.69) SLC16A1CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414825-B9 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2009-09-16 EP disclosed
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-7384950-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US disclosed
EP-1414825-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2007-09-26 EP 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.