SCHEMBL6855055

SCHEMBL6855055

CC(C)(C)OC(=O)N[C@H](COc1cncc(-c2ccc(CO)cc2)c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.44
PTPRB P23467 1/20 0.42
CTSS P25774 3/20 0.41
CTSK P43235 3/20 0.41
BCL2 P10415 1/20 0.40
CDK7 P50613 2/20 0.39
CDK2 P24941 1/20 0.39
PTPN1 P18031 2/20 0.39
PPARA Q07869 2/20 0.38
F10 P00742 1/20 0.38
CTSB P07858 1/20 0.38
S1PR3 Q99500 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL6855059 1.00 AKT1 (0.44) AKT1PTPRBCTSSCTSKBCL2
SCHEMBL6853437 0.82 CTSK (0.42) PTPRBCTSSCTSKCTSBS1PR3
SCHEMBL6853436 0.82 CTSK (0.42) PTPRBCTSSCTSKCTSBS1PR3
SCHEMBL14589000 0.76 ATM (0.52) PTPRBCTSSCTSKCTSB
SCHEMBL12280582 0.74 CTSK (0.46) CTSSCTSKPTPN1PPARAS1PR3
SCHEMBL2900744 0.72 MAPT (0.41) CTSSCTSKPPARACTSB
SCHEMBL2900742 0.72 MAPT (0.41) CTSSCTSKPPARACTSB
SCHEMBL13412264 0.72 PPARA (0.39) CTSSCTSKPPARAF10CTSB
SCHEMBL12321261 0.71 PDPK1 (0.51) CTSSCTSKPTPN1S1PR3
SCHEMBL14831425 0.71 CTSK (0.52) AKT1CTSSCTSKCDK2PPARA

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-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 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 (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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885PTPRB 1005/4885CTSS 3443/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885PTPRB 1005/4885CTSS 3443/4885

“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.