SCHEMBL5097083

SCHEMBL5097083

CC[C@]1(CON2C(=O)c3ccccc3C2=O)CO1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
MAPT P10636 2/20 0.41
CYP2C9 P11712 1/20 0.41
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
F2 P00734 1/20 0.38
VDR P11473 1/20 0.38
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 2/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL5097078 1.00 GAA (0.46) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL4216777 0.81 GAA (0.49) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL6231333 0.81 GAA (0.49) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL4216778 0.81 GAA (0.49) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL31126626 0.77 GAA (0.47) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL17983217 0.76 ALDH1A1 (0.45) ALDH1A1CYP1A2MAPTCYP2C9RECQL
SCHEMBL17983008 0.74 GLS (0.45) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL2081294 0.73 GAA (0.62) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL17983155 0.72 CYP1A2 (0.48) MEN1KMT2ACYP1A2CYP2C9
SCHEMBL22833125 0.71 GAA (0.51) GAAALDH1A1MEN1KMT2ACYP1A2

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 4 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
EP-1587812-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2006-08-09 EP 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 GAA 3539/4885ALDH1A1 194/4885MEN1 1417/4885
US-20060052400-A1 Thienopyriminediones and their use in the modulation of autoimmune disease C5, HRH4, CYP2S1 GAA 3987/4885ALDH1A1 1022/4885MEN1 2493/4885

“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.