SCHEMBL702541

SCHEMBL702541

O=c1[nH]ncc(-c2ccsc2)c1-c1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
TDO2 P48775 1/20 0.40
CYP2A6 P11509 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38

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
SCHEMBL1231979 0.74 POLB (0.52) ALDH1A1
SCHEMBL8212288 0.73 AKT1 (0.53) ALDH1A1CDK2
SCHEMBL8213047 0.71 HPGDS (0.53) ALDH1A1CYP2A6CYP3A4CYP2B6CYP19A1
SCHEMBL4049176 0.70 MAPT (0.47) USP2CYP3A4CYP2C9CYP2C19GRIN2D
SCHEMBL30604926 0.68 JAK2 (0.42) USP2ALDH1A1PKMGRIN2DGRIN3B
SCHEMBL4806075 0.68 MAPK14 (0.46) USP2CYP3A4CYP2C9CYP2C19CDK2
SCHEMBL4800330 0.68 MAPK14 (0.63) CDK2
SCHEMBL8220437 0.67 HPGD (0.57) ALDH1A1CYP2A6CYP3A4CYP2C9CYP2B6
SCHEMBL8212313 0.67 MAPT (0.45) ALDH1A1CCNE1CDK2WNT3ATNKS2
SCHEMBL8217056 0.67 NOTUM (0.43) CYP11B1CYP11B2MAOB

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 11 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
WO-2008019266-A2 ACYCLIC, PYRIDAZINONE-DERIVED HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
WO-2008019303-A2 PYRIDAZINONYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 WO 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
US-20040180815-A1 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors NAKAJIMA SUANNE (US) 2004-09-16 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 (3 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 USP2 991/4885ALDH1A1 1465/4885PKM 3044/4885
US-20040180815-A1 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 USP2 1373/4885ALDH1A1 1101/4885PKM 1389/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 USP2 1094/4885ALDH1A1 1430/4885PKM 3135/4885

“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.