SCHEMBL4803068

SCHEMBL4803068

CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)O)c(Cn3c(=O)n(C)c4ccccc43)sc21

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 20/20 0.56
CYP2C9 P11712 9/20 0.56
CYP3A4 P08684 5/20 0.56
ABCB11 O95342 1/20 0.48

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
SCHEMBL4804153 0.89 SLC16A1 (0.56) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL4803574 0.88 SLC16A1 (0.54) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL4923253 0.87 SLC16A1 (0.52) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL3827309 0.87 SLC16A1 (0.52) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL3829938 0.86 SLC16A1 (0.73) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL4803012 0.86 SLC16A1 (0.67) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL3831634 0.85 SLC16A1 (0.63) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL3833844 0.84 SLC16A1 (0.62) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL3834003 0.84 SLC16A1 (0.62) SLC16A1CYP2C9CYP3A4ABCB11
SCHEMBL4799270 0.84 SLC16A1 (0.58) SLC16A1CYP2C9CYP3A4

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-7361660-B2 Chemical compounds ASTRAZENECA AB (SE) 2008-04-22 US disclosed
EP-1412362-B1 THIENO¬2,3-d|PYRIMIDINEDIONES AS INHIBITORS OF T-CELLS PROLIFERATION ASTRAZENECA AB (SE) 2006-08-02 EP disclosed
US-20040171623-A1 Chemical compounds ASTRAZENECA AB (SE) 2004-09-02 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-20040171623-A1 Chemical compounds CBR1, SETDB1, CBR3 SLC16A1 1397/4885CYP2C9 63/4885CYP3A4 60/4885

“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.