SCHEMBL3830004

SCHEMBL3830004

CCn1c(=O)n(C)c(=O)c2c(C(=O)O)c(Cc3c(C)[nH]c4ncccc34)sc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 11/20 0.45
CYP2C9 P11712 8/20 0.45
CYP3A4 P08684 7/20 0.45
SLC16A7 O60669 1/20 0.39
SLC16A3 O15427 1/20 0.38
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NSD2 O96028 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.34
KLK6 Q92876 1/20 0.34

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
SCHEMBL3833639 0.92 SLC16A1 (0.44) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL4918902 0.91 SLC16A1 (0.55) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL3868024 0.87 SLC16A1 (0.44) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL3833088 0.86 SLC16A1 (0.43) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL3828214 0.86 SLC16A1 (0.43) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL3829925 0.85 SLC16A1 (0.65) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL3829995 0.83 SLC16A1 (0.62) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL4801183 0.83 SLC16A1 (0.54) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL4803837 0.82 SLC16A1 (0.44) SLC16A1CYP2C9CYP3A4SLC16A7SLC16A3
SCHEMBL14140186 0.80 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 5 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
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2004-12-16 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 (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.