SCHEMBL7991005

SCHEMBL7991005

COC(=O)[C@@H]1C[C@@H](n2nc(-c3ccccc3)c(-c3cccc(Br)c3)n2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.45
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
UCHL1 P09936 1/20 0.39
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
SRC P12931 4/20 0.37
PTPN1 P18031 1/20 0.36
P2RX3 P56373 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
MCL1 Q07820 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTRA1 Q92743 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36

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
SCHEMBL8000832 0.88 NR1H2 (0.40) USP30NR1H2NR1H3UCHL1CCNT1
SCHEMBL10254818 0.81 NR1H2 (0.43) NR1H2NR1H3UCHL1CCNT1CDK9
SCHEMBL7998582 0.79 USP30 (0.42) USP30NR1H2NR1H3UCHL1P2RX3
SCHEMBL10255074 0.79 ALDH1A1 (0.41) USP30NR1H2NR1H3UCHL1CCNT1
SCHEMBL1131373 0.79 ALDH1A1 (0.41) USP30NR1H2NR1H3UCHL1CCNT1
SCHEMBL10260293 0.77 UCHL1 (0.40) USP30NR1H2NR1H3UCHL1CCNT1
SCHEMBL8227117 0.75 USP30 (0.43) USP30NR1H2NR1H3UCHL1P2RX3
SCHEMBL7875821 0.75 USP30 (0.41) USP30NR1H2NR1H3UCHL1P2RX3
SCHEMBL31336371 0.75 P2RX3 (0.46) USP30NR1H2NR1H3UCHL1PTPN1
SCHEMBL26940536 0.75 P2RX3 (0.46) USP30NR1H2NR1H3UCHL1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372802-B2 Fluorinated macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-02-12 US disclosed
US-8372802-B2 Fluorinated macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-02-12 US disclosed
US-8273709-B2 Triazole-containing macrocyclic HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-09-25 US disclosed
US-8273709-B2 Triazole-containing macrocyclic HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-09-25 US disclosed
US-20090238794-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-09-24 US disclosed
US-20090238794-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-09-24 US disclosed
WO-2009117594-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-09-24 WO disclosed
US-20090191151-A1 TRIAZOLE-CONTAINING MACROCYCLIC HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090191151-A1 TRIAZOLE-CONTAINING MACROCYCLIC HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-07-30 US disclosed
WO-2009079353-A1 TRIAZOLE-CONTAINING MACROCYCLIC HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-25 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 (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-20090191151-A1 TRIAZOLE-CONTAINING MACROCYCLIC HCV SERINE PROTEASE INHIBITORS TMPRSS4, SPINT2, PRSS1 USP30 943/4885NR1H2 1136/4885NR1H3 758/4885
US-20090238794-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CTSC, SPINT2, CTSV USP30 1561/4885NR1H2 620/4885NR1H3 440/4885

“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.