SCHEMBL4837983

SCHEMBL4837983

CCCc1nc2ccccc2n1Cc1sc2c(c1C(=O)O)c(=O)n(C)c(=O)n2CC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.50
AGTR2 P50052 5/20 0.50
CYP2C9 P11712 4/20 0.49
SLC16A1 P53985 4/20 0.49
CYP3A4 P08684 2/20 0.49
PPARG P37231 4/20 0.48
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL3832938 0.91 SLC16A1 (0.60) AGTR1AGTR2CYP2C9SLC16A1CYP3A4
SCHEMBL3828205 0.91 CYP2C9 (0.49) AGTR1AGTR2CYP2C9SLC16A1CYP3A4
SCHEMBL3832814 0.88 CYP2C9 (0.51) AGTR1AGTR2CYP2C9SLC16A1CYP3A4
SCHEMBL3830041 0.84 SLC16A1 (0.68) AGTR1AGTR2CYP2C9SLC16A1CYP3A4
SCHEMBL3833844 0.84 SLC16A1 (0.62) CYP2C9SLC16A1CYP3A4
SCHEMBL3826878 0.83 CYP2C9 (0.52) CYP2C9SLC16A1CYP3A4SMN1; SMN2TSHR
SCHEMBL3834003 0.82 SLC16A1 (0.62) CYP2C9SLC16A1CYP3A4
SCHEMBL4797431 0.80 SLC16A1 (0.61) AGTR1AGTR2CYP2C9SLC16A1CYP3A4
SCHEMBL3847698 0.80 SLC16A1 (0.51) AGTR1AGTR2CYP2C9SLC16A1CYP3A4
SCHEMBL3833785 0.79 L3MBTL1 (0.45) CYP2C9SLC16A1CYP3A4LMNAMAPT

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-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

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 AGTR1 751/4885AGTR2 1470/4885CYP2C9 89/4885
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease C5, TPMT, C9 AGTR1 670/4885AGTR2 1238/4885CYP2C9 71/4885

“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.