SCHEMBL8213890

SCHEMBL8213890

C=Cc1cc2c(O[C@@H]3C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C3)cc(-c3ccccc3)nc2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.43
P2RX3 P56373 1/20 0.37
PDE4B Q07343 4/20 0.37
MCL1 Q07820 9/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ACACB O00763 1/20 0.34

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
SCHEMBL12934486 0.92 UCHL1 (0.43) UCHL1P2RX3PDE4BMCL1NR1H2
SCHEMBL8253556 0.90 UCHL1 (0.45) UCHL1P2RX3MCL1NR1H2NR1H3
SCHEMBL8213225 0.89 UCHL1 (0.45) UCHL1P2RX3MCL1MEN1KMT2A
SCHEMBL4406698 0.87 UCHL1 (0.49) UCHL1P2RX3MCL1SMN1; SMN2ACACB
SCHEMBL8246971 0.87 UCHL1 (0.49) UCHL1P2RX3MCL1SMN1; SMN2ACACB
SCHEMBL12963581 0.87 MEN1 (0.39) MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL8275065 0.86 KDM4E (0.48) UCHL1P2RX3MCL1MEN1KMT2A
SCHEMBL13123350 0.86 KDM4E (0.48) UCHL1P2RX3MCL1MEN1KMT2A
SCHEMBL8248157 0.86 UCHL1 (0.47) UCHL1P2RX3MCL1NR1H2NR1H3
SCHEMBL2897360 0.85 SMN1; SMN2 (0.40) MEN1KMT2AKDM4ESMN1; SMN2

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-8377874-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 US disclosed
US-8377874-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 US disclosed
US-20100286185-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-11-11 US disclosed
WO-2008057208-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 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-20100286185-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC UCHL1 483/4885P2RX3 3516/4885PDE4B 3619/4885

“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.