SCHEMBL5093451

SCHEMBL5093451

CCCn1c(=O)n(C)c(=O)c2c(C(=O)CN3C[C@H](O)CO3)c(Cc3c(C)n[nH]c3C)sc21

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 17/20 0.64
CYP2C9 P11712 14/20 0.64
CYP3A4 P08684 9/20 0.64
SLC16A3 O15427 1/20 0.64
SLC16A7 O60669 1/20 0.32
HPGD P15428 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL3828105 0.87 SLC16A1 (0.82) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3828110 0.87 SLC16A1 (0.82) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3850613 0.80 SLC16A1 (0.55) SLC16A1CYP2C9CYP3A4SLC16A3HPGD
SCHEMBL3850616 0.79 SLC16A1 (0.54) SLC16A1CYP2C9CYP3A4SLC16A3HPGD
SCHEMBL13679396 0.79 SLC16A1 (0.74) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL5100072 0.79 SLC16A1 (0.53) SLC16A1CYP2C9CYP3A4SLC16A3HPGD
SCHEMBL23958362 0.78 SLC16A1 (1.00) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3826454 0.78 SLC16A1 (1.00) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3826451 0.78 SLC16A1 (1.00) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7
SCHEMBL3827008 0.77 SLC16A1 (0.72) SLC16A1CYP2C9CYP3A4SLC16A3SLC16A7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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.