SCHEMBL701745

SCHEMBL701745

OCCOc1cc[c]cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE1C Q14123 1/20 0.35
PDE7B Q9NP56 1/20 0.35
RECQL P46063 1/20 0.35
LOX P28300 1/20 0.35
AOC3 Q16853 1/20 0.35
TP53 P04637 3/20 0.34
TSHR P16473 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
S1PR4 O95977 3/20 0.33

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
SCHEMBL22683443 0.91 L3MBTL1 (0.38) ALDH1A1TP53TSHRCYP1A2CYP3A4
SCHEMBL27887600 0.89 ALDH1A1 (0.39) ALDH1A1LOXAOC3TP53TSHR
SCHEMBL2251033 0.85 HTR2C (0.38) PDE7APDE7BS1PR4
SCHEMBL4885289 0.85 ALDH1A1 (0.37) IDO1ALDH1A1PDE1APDE1BPDE4D
SCHEMBL161592 0.81 CSNK2A1 (0.47) ALDH1A1PDE7APDE7BTP53S1PR4
SCHEMBL4532814 0.80 L3MBTL1 (0.40) ALDH1A1RECQLTSHRCYP2C19TDP1
SCHEMBL160991 0.80 SMN1; SMN2 (0.45) ALDH1A1TP53TSHRCYP1A2CYP2C19
SCHEMBL21224306 0.79 ALDH1A1 (0.38) IDO1ALDH1A1RECQLLOXAOC3
SCHEMBL27690976 0.79 SMN1; SMN2 (0.41) ALDH1A1TP53TSHRCYP1A2CYP3A4
SCHEMBL22683485 0.78 VDR (0.38) IDO1CYP1A2CYP2C19S1PR4L3MBTL1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718769-B2 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-05-18 US claimed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US claimed
US-7273851-B2 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US claimed
US-20070161575-A1 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-07-12 US claimed
WO-2004113365-A9 HEPATITIS C SERINE PROTEASE TRI-PEPTIDE INHIBITORS 2006-03-23 WO claimed
US-20050261200-A1 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-11-24 US claimed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US claimed
WO-2004113365-A2 HEPATITIS C SERINE PROTEASE TRI-PEPTIDE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-12-29 WO claimed
US-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-7718769-B2 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-05-18 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-7273851-B2 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
EP-1590442-A4 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-07-18 EP disclosed
US-20050261200-A1 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-11-24 US 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-2004113365-A2 HEPATITIS C SERINE PROTEASE TRI-PEPTIDE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-12-29 WO 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 (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-20050261200-A1 Tri-peptide hepatitis C serine protease inhibitors PRSS1, VIP, HPN IDO1 1592/4885ALDH1A1 2189/4885PDE1A 3984/4885
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 IDO1 1451/4885ALDH1A1 1465/4885PDE1A 4035/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 IDO1 1571/4885ALDH1A1 1430/4885PDE1A 4027/4885
US-20070161575-A1 Tri-peptide hepatitis C serine protease inhibitors PRSS1, VIP, HPN IDO1 1592/4885ALDH1A1 2189/4885PDE1A 3984/4885

“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.