SCHEMBL702843

SCHEMBL702843

COc1ccc(C#CCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
APP P05067 2/20 0.48
HAO1 Q9UJM8 1/20 0.47
CA4 P22748 1/20 0.46
KCNH2 Q12809 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
TSHR P16473 2/20 0.45
MMP2 P08253 2/20 0.45
MMP9 P14780 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MMP3 P08254 1/20 0.44
MMP13 P45452 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL21244052 0.93 LTA4H (0.55) LTA4HFFAR1FFAR4APPCA4
SCHEMBL29151788 0.85 HAO1 (0.56) LTA4HFFAR1FFAR4HAO1TSHR
SCHEMBL8454690 0.84 APP (0.47) LTA4HAPPKCNH2ALDH1A1
SCHEMBL28811444 0.83 APP (0.50) LTA4HFFAR1APPCA4KCNH2
SCHEMBL8455472 0.81 AOC3 (0.46) FFAR1FFAR4APPSIGMAR1
SCHEMBL6193779 0.80 LTA4H (0.54) LTA4HFFAR1FFAR4CYP1A2MMP13
SCHEMBL6191600 0.80 LTA4H (0.54) LTA4HFFAR1FFAR4CYP1A2MMP13
SCHEMBL30692448 0.80 LTA4H (0.53) LTA4HCA4SIGMAR1TSHRMMP2
SCHEMBL2465614 0.80 TSHR (0.46) LTA4HFFAR1CA4SIGMAR1TSHR
SCHEMBL30692447 0.80 LTA4H (0.53) LTA4HCA4SIGMAR1TSHRMMP2

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 8 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-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
EP-1590442-A4 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-07-18 EP disclosed
EP-1590442-A3 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-03 EP disclosed
EP-1590442-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-02 EP disclosed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US disclosed
WO-2004072243-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-08-26 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-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 LTA4H 364/4885FFAR1 3351/4885FFAR4 2351/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 LTA4H 423/4885FFAR1 3402/4885FFAR4 2407/4885

“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.