SCHEMBL5128979

SCHEMBL5128979

CCOC(=O)c1c(Cc2ccnc3c(F)cccc23)sc2c1c(=O)n(C)c(=O)n2C(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 15/20 0.47
CYP2C9 P11712 6/20 0.43
CYP3A4 P08684 5/20 0.43
SLC16A7 O60669 1/20 0.42
TRPV4 Q9HBA0 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5100062 0.89 SLC16A1 (0.51) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL5138945 0.89 SLC16A1 (0.56) SLC16A1CYP2C9CYP3A4SLC16A7ALDH1A1
SCHEMBL5100179 0.80 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL5097869 0.79 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4SLC16A7ALDH1A1
SCHEMBL5096933 0.79 SLC16A1 (0.49) SLC16A1RAB9AALDH1A1LMNAMEN1
SCHEMBL3828116 0.78 SLC16A1 (0.62) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL3828070 0.77 SLC16A1 (0.72) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL5094497 0.77 SLC16A1 (0.61) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL5094503 0.77 SLC16A1 (0.61) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL3826879 0.77 SLC16A1 (0.60) SLC16A1CYP2C9CYP3A4SLC16A7ALDH1A1

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-20080214579-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2008-09-04 US disclosed
EP-1587812-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2006-08-09 EP 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-20080214579-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE TPMT, TYMP, TYMS SLC16A1 3968/4885CYP2C9 419/4885CYP3A4 494/4885

“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.