SCHEMBL5093440

SCHEMBL5093440

CC(C)n1c(=O)n(C)c(=O)c2c(C(=O)O)c(C(O)c3ccc(-c4ccccn4)cc3)sc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 2/20 0.39
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
TRPA1 O75762 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
DHODH Q02127 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD11B1 P28845 1/20 0.32
ADORA2B P29275 1/20 0.32
HSD17B2 P37059 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5097079 0.82 SLC16A1 (0.48) SLC16A1DPP4CYP3A4MEN1KMT2A
SCHEMBL5106175 0.76 SLC16A1 (0.49) SLC16A1KDM4ECYP3A4HSD17B2
SCHEMBL5100189 0.73 SLC16A1 (0.39) SLC16A1CYP3A4
SCHEMBL5097135 0.72 SLC16A1 (0.48) SLC16A1CYP3A4
SCHEMBL5093409 0.69 SLC16A1 (0.41) SLC16A1CYP3A4
SCHEMBL5096942 0.68 SLC16A1 (0.38) SLC16A1MAPTADORA2BMEN1KMT2A
SCHEMBL4841558 0.68 SLC16A1 (0.43) SLC16A1PKMCYP3A4ADORA2BKMT2A
SCHEMBL5097873 0.67 SLC16A1 (0.41) SLC16A1KDM4EALDH1A1MAPTCYP3A4
SCHEMBL5097159 0.67 SLC16A1 (0.46) SLC16A1KDM4EALDH1A1MAPTCYP3A4
SCHEMBL3831556 0.66 SLC16A1 (0.44) SLC16A1CYP3A4

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 3 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 disclosed
US-7384951-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US 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 3968/4885DPP4 1523/4885DPP7 2076/4885
US-20060052400-A1 Thienopyriminediones and their use in the modulation of autoimmune disease C5, HRH4, CYP2S1 SLC16A1 4250/4885DPP4 2260/4885DPP7 3600/4885

“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.