SCHEMBL5097167

SCHEMBL5097167

CCn1c(=O)n(C)c(=O)c2c(C(=O)N3C[C@](C)(O)CO3)c(Cn3c(C)nc(Cl)c3Cl)sc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 15/20 0.54
CYP2C9 P11712 10/20 0.54
CYP3A4 P08684 7/20 0.51
ABCB11 O95342 1/20 0.51
SLC16A3 O15427 1/20 0.37
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL5140116 1.00 SLC16A1 (0.54) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL3826769 0.84 SLC16A1 (0.61) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL3827135 0.81 SLC16A1 (0.61) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL3831618 0.79 CYP2C9 (0.63) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL3830463 0.78 SLC16A1 (0.60) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL3830465 0.78 SLC16A1 (0.60) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL5106376 0.76 SLC16A1 (0.50) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL5099897 0.76 SLC16A1 (0.50) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL5107837 0.76 SLC16A1 (0.52) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3
SCHEMBL3829940 0.76 SLC16A1 (0.74) SLC16A1CYP2C9CYP3A4ABCB11SLC16A3

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 11 patents. 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 claimed
US-7384951-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US claimed
EP-1587812-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2006-08-09 EP claimed
US-20060052400-A1 Thienopyriminediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2006-03-09 US claimed
US-20080214579-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-20080214579-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-7384951-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US disclosed
US-7384951-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US disclosed
US-7384951-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US disclosed
EP-1587812-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2006-08-09 EP disclosed
US-20060052400-A1 Thienopyriminediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2006-03-09 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-20080214579-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE TPMT, TYMP, TYMS SLC16A1 3968/4885CYP2C9 419/4885CYP3A4 494/4885
US-20060052400-A1 Thienopyriminediones and their use in the modulation of autoimmune disease C5, HRH4, CYP2S1 SLC16A1 4250/4885CYP2C9 113/4885CYP3A4 77/4885

“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.