SCHEMBL8000832

SCHEMBL8000832

C=Cc1cccc(-c2nn([C@@H]3C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C3)nc2-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
UCHL1 P09936 2/20 0.37
USP30 Q70CQ3 4/20 0.36
MMP2 P08253 1/20 0.36
HTRA1 Q92743 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
TGM2 P21980 2/20 0.35
P2RX3 P56373 1/20 0.35
SRC P12931 4/20 0.35
DPP4 P27487 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
PTPN1 P18031 1/20 0.35
F13A1 P00488 1/20 0.35
TGM1 P22735 1/20 0.35
PDE4B Q07343 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
SCHEMBL7991005 0.88 USP30 (0.45) NR1H2NR1H3UCHL1USP30HTRA1
SCHEMBL13703340 0.86 SLC6A2 (0.37) MMP2
SCHEMBL8010656 0.79 UCHL1 (0.40) NR1H2NR1H3UCHL1TGM2P2RX3
SCHEMBL8001900 0.78 ELANE (0.35) MMP2
SCHEMBL10254818 0.78 NR1H2 (0.43) NR1H2NR1H3UCHL1MMP2HTRA1
SCHEMBL8000098 0.77 SLC6A2 (0.35)
SCHEMBL1131373 0.76 ALDH1A1 (0.41) NR1H2NR1H3UCHL1USP30MMP2
SCHEMBL10255074 0.76 ALDH1A1 (0.41) NR1H2NR1H3UCHL1USP30MMP2
SCHEMBL10260293 0.75 UCHL1 (0.40) NR1H2NR1H3UCHL1USP30MMP2
SCHEMBL13395474 0.73 NR1H2 (0.42) NR1H2NR1H3UCHL1MMP2HTRA1

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 NR1H2 1136/4885NR1H3 758/4885UCHL1 1285/4885
US-20090238794-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CTSC, SPINT2, CTSV NR1H2 620/4885NR1H3 440/4885UCHL1 1005/4885

“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.