SCHEMBL702811

SCHEMBL702811

C#Cc1ccc(OC)cc1-c1nccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
CYP1A1 P04798 3/20 0.40
CYP1B1 Q16678 3/20 0.40
CYP1A2 P05177 2/20 0.40
SRC P12931 2/20 0.40
ZAP70 P43403 2/20 0.40
SYK P43405 2/20 0.40
SMPD3 Q9NY59 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
FBP1 P09467 1/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
CYP19A1 P11511 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
SCHEMBL6336184 0.79 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30441936 0.79 SMPD3 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL4895926 0.78 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30386577 0.78 CYP19A1 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6319123 0.76 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL29561802 0.76 CYP1A1 (0.59) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10072597 0.76 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL14776688 0.74 PDE4A (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL702510 0.74 MAOB (0.48) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL29228619 0.73 LMNA (0.48) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS MIAO ZHENWEI 2009-12-10 US disclosed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-19 US disclosed
WO-2008021960-A2 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
WO-2008021871-A2 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
US-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US 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 (4 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-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 GABRA1 4792/4885GABRG2 4754/4885GABRB3 4736/4885
US-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC GABRA1 4718/4885GABRG2 4745/4885GABRB3 4702/4885
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, PRSS1, CTSC GABRA1 4716/4885GABRG2 4734/4885GABRB3 4707/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 GABRA1 4803/4885GABRG2 4754/4885GABRB3 4684/4885

“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.