SCHEMBL10169332

SCHEMBL10169332

CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
IDO1 P14902 3/20 0.38
KDM4E B2RXH2 2/20 0.38
USP30 Q70CQ3 1/20 0.38
PKM P14618 1/20 0.38
TACR1 P25103 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 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
SCHEMBL31340345 0.93 BACE1 (0.43) BACE1LMNATHRBGPR119IDO1
SCHEMBL6353989 0.90 BACE1 (0.45) BACE1TLR2TLR1GPR119KDM4E
SCHEMBL7205505 0.90 BACE1 (0.45) BACE1TLR2TLR1GPR119KDM4E
SCHEMBL13039515 0.87 BACE1 (0.47) BACE1TLR2TLR1GPR119IDO1
SCHEMBL12993286 0.87 BACE1 (0.47) BACE1TLR2TLR1GPR119IDO1
SCHEMBL6354112 0.84 CPB1 (0.49) LMNATHRBGPR119USP30TACR1
SCHEMBL19814438 0.84 CPB1 (0.49) LMNATHRBGPR119USP30TACR1
SCHEMBL19814818 0.84 CPB1 (0.49) LMNATHRBGPR119USP30TACR1
SCHEMBL28833812 0.84 CPB1 (0.49) LMNATHRBGPR119USP30TACR1
SCHEMBL19817481 0.84 CPB1 (0.49) LMNATHRBGPR119USP30TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 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 (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-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ BACE1 54/4885LMNA 1962/4885THRB 1009/4885

“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.