SCHEMBL4845330

SCHEMBL4845330

CC(C)n1c(=O)n(C)c(=O)c2c(C(=O)O)c(Cn3c(=O)[nH]c4ccccc43)sc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 11/20 0.47
CYP2C9 P11712 5/20 0.42
CYP3A4 P08684 3/20 0.42
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
RAB9A P51151 1/20 0.36
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3827309 0.88 SLC16A1 (0.52) SLC16A1CYP2C9CYP3A4
SCHEMBL3826538 0.84 SLC16A1 (0.59) SLC16A1CYP2C9CYP3A4
SCHEMBL3826533 0.84 SLC16A1 (0.59) SLC16A1CYP2C9CYP3A4
SCHEMBL3827112 0.80 SLC16A1 (0.51) SLC16A1CYP2C9CYP3A4POLBMEN1
SCHEMBL3832916 0.80 SLC16A1 (0.45) SLC16A1CYP2C9CYP3A4POLBMEN1
SCHEMBL3847698 0.79 SLC16A1 (0.51) SLC16A1CYP2C9CYP3A4POLBMEN1
SCHEMBL3828076 0.79 SLC16A1 (0.65) SLC16A1CYP2C9CYP3A4MEN1CYP1A2
SCHEMBL3833114 0.79 SLC16A1 (0.50) SLC16A1CYP2C9CYP3A4POLBMEN1
SCHEMBL3831556 0.78 SLC16A1 (0.44) SLC16A1CYP2C9CYP3A4
SCHEMBL3829524 0.78 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4POLBMEN1

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-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
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2004-12-16 US disclosed
EP-1414825-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003011868-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2003-02-13 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 (2 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-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease TPMT, CBR1, CYP2D6 SLC16A1 3284/4885CYP2C9 89/4885CYP3A4 93/4885
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.