SCHEMBL3501462

SCHEMBL3501462

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(-c2ccc(N)cc2)n(C(=O)OC(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.36
NR1H3 Q13133 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
RET P07949 1/20 0.33
KDR P35968 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
MAP2K4 P45985 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
SYK P43405 1/20 0.33
CFTR P13569 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL4553673 0.91 AAK1 (0.33) NR1H2AAK1CA1CA2SYK
SCHEMBL3499314 0.87 MMP13 (0.37) NR1H2NR1H3AAK1CFTRGPR119
SCHEMBL3501150 0.84 ALDH1A1 (0.43)
SCHEMBL28485002 0.82 TUBB4A (0.44) NR1H2NR1H3HSP90AA1HSP90AB1RET
SCHEMBL3501728 0.77 FAAH (0.35) MAP2K4SYK
SCHEMBL3499236 0.75 ALDH1A1 (0.38)
SCHEMBL3499060 0.74 TUBB4A (0.36) NR1H2NR1H3MAP2K4CFTRGPR119
SCHEMBL24176651 0.74 NR1H2 (0.38) NR1H2NR1H3AAK1GPR119
SCHEMBL3500812 0.74 TUBB4A (0.55) NR1H2NR1H3HSP90AA1HSP90AB1RET
SCHEMBL13312322 0.73 TUBB4A (0.41) NR1H2NR1H3HSP90AA1HSP90AB1RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed
EP-2121619-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC Immune S.A. (CH) 2009-11-25 EP disclosed
WO-2008061796-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2008-05-29 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-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS APP, BACE1, APBA1 NR1H2 20/4885NR1H3 24/4885HSP90AA1 1460/4885

“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.