SCHEMBL3087145

SCHEMBL3087145

CO/C=C/CC1c2cccc(C#N)c2OCCN1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.34
UCHL1 P09936 2/20 0.34
GPR119 Q8TDV5 4/20 0.33
RIPK1 Q13546 8/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
GRM5 P41594 1/20 0.32
NR1I2 O75469 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL2911572 1.00 ATM (0.34) ATMUCHL1GPR119RIPK1NR1H2
SCHEMBL2911568 1.00 ATM (0.34) ATMUCHL1GPR119RIPK1NR1H2
SCHEMBL3087510 0.89 ATM (0.36) ATMUCHL1GPR119RIPK1NR1H2
SCHEMBL2910076 0.88 MEN1 (0.36) ATMUCHL1GPR119RIPK1NR1H2
SCHEMBL2910069 0.88 MEN1 (0.36) ATMUCHL1GPR119RIPK1NR1H2
SCHEMBL2915748 0.84 ATM (0.40) ATMUCHL1GPR119RIPK1NR1H2
SCHEMBL2918069 0.83 ATM (0.38) ATMUCHL1GPR119RIPK1NR1H2
SCHEMBL2917440 0.81 MEN1 (0.38) ATMUCHL1GPR119RIPK1NR1H2
SCHEMBL2911313 0.78 ATM (0.36) ATMUCHL1GPR119RIPK1NR1H2
SCHEMBL2909472 0.69 NR1H2 (0.38) ATMUCHL1NR1H2NR1H3MEN1

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-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
US-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
US-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
WO-2009080730-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2009-07-02 WO 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-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES SSB, RORC, OXA1L ATM 4682/4885UCHL1 4199/4885GPR119 444/4885

“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.