SCHEMBL8248157

SCHEMBL8248157

COC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3ccc(Br)cc23)CN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.47
MCL1 Q07820 12/20 0.43
RXFP1 Q9HBX9 2/20 0.42
BCL2 P10415 2/20 0.40
BCL2L1 Q07817 1/20 0.40
P2RX3 P56373 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
ACACB O00763 1/20 0.37
USP30 Q70CQ3 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 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
SCHEMBL4406698 0.91 UCHL1 (0.49) UCHL1MCL1P2RX3ACACB
SCHEMBL8246971 0.91 UCHL1 (0.49) UCHL1MCL1P2RX3ACACB
SCHEMBL12934484 0.90 UCHL1 (0.45) UCHL1MCL1BCL2BCL2L1P2RX3
SCHEMBL8213225 0.90 UCHL1 (0.45) UCHL1MCL1BCL2BCL2L1P2RX3
SCHEMBL8253556 0.88 UCHL1 (0.45) UCHL1MCL1P2RX3NR1H2NR1H3
SCHEMBL13123350 0.87 KDM4E (0.48) UCHL1MCL1P2RX3ALDH1A1
SCHEMBL8275065 0.87 KDM4E (0.48) UCHL1MCL1P2RX3ALDH1A1
SCHEMBL12934486 0.86 UCHL1 (0.43) UCHL1MCL1BCL2BCL2L1P2RX3
SCHEMBL8213890 0.86 UCHL1 (0.43) UCHL1MCL1P2RX3NR1H2NR1H3
SCHEMBL4406868 0.83 UCHL1 (0.49) UCHL1MCL1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879607-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-12 EP disclosed
US-7879797-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-7879797-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20090075869-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2009-03-19 US disclosed
US-20090075869-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2009-03-19 US disclosed
WO-2006119061-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2006-11-09 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-20090075869-A1 HCV NS3 protease inhibitors HAVCR2, GTF3C3, CTSC UCHL1 483/4885MCL1 1644/4885RXFP1 4217/4885

“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.