SCHEMBL877125

SCHEMBL877125

CC(C)(C)OC(=O)C1N(C(=O)OC(C)(C)C)CC(=O)C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
BUB1 O43683 1/20 0.35
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H2 P55055 2/20 0.33
HSD11B1 P28845 1/20 0.33
PTPN1 P18031 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
AR P10275 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 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
SCHEMBL877124 1.00 MAPK1 (0.40) MAPK1BUB1DDB1CRBNMEN1
SCHEMBL876133 0.91 PTPN1 (0.39) MAPK1BUB1DDB1CRBNMEN1
SCHEMBL8288614 0.91 PTPN1 (0.39) MAPK1BUB1DDB1CRBNMEN1
SCHEMBL875308 0.88 HSD17B10 (0.37) MAPK1BUB1DDB1CRBNMEN1
SCHEMBL875307 0.88 HSD17B10 (0.37) MAPK1BUB1DDB1CRBNMEN1
SCHEMBL28397904 0.80 ELANE (0.44)
SCHEMBL6243903 0.77 PTPN1 (0.39) MAPK1NR1H2PTPN1CHRM2CHRM1
SCHEMBL6244524 0.73 HSD17B10 (0.37) BUB1MEN1KMT2ANR1H2CHRM2
SCHEMBL21367005 0.72 PTPN1 (0.34) MAPK1BUB1MEN1KMT2ANR1H2
SCHEMBL22968909 0.72 PTPN1 (0.34) MAPK1BUB1MEN1KMT2ANR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
WO-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP MAPK1 2575/4885BUB1 975/4885DDB1 1366/4885

“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.