SCHEMBL1900702

SCHEMBL1900702

O=c1[nH]c2cc3c(cc2nc1-c1cccs1)OCO3

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 6/20 0.67
HSD17B10 Q99714 3/20 0.60
GLA P06280 2/20 0.60
CASP1 P29466 2/20 0.60
CASP7 P55210 2/20 0.60
NPC1 O15118 1/20 0.60
LMNA P02545 1/20 0.60
RAB9A P51151 1/20 0.60
STK33 Q9BYT3 3/20 0.41
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
PKM P14618 2/20 0.40
MAPT P10636 2/20 0.40
NPY5R Q15761 1/20 0.39
PDE10A Q9Y233 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1898900 0.80 NPC1 (0.72) RPS6KB2HSD17B10GLACASP1CASP7
SCHEMBL2135032 0.79 LMNA (0.66) RPS6KB2HSD17B10GLACASP1CASP7
SCHEMBL11876463 0.78 RPS6KB2 (0.56) RPS6KB2HSD17B10GLACASP1CASP7
SCHEMBL30026859 0.76 RAB9A (1.00) RPS6KB2HSD17B10GLACASP1CASP7
SCHEMBL1509112 0.76 RAB9A (1.00) RPS6KB2HSD17B10GLACASP1CASP7
SCHEMBL692427 0.75 RAB9A (0.68) RPS6KB2HSD17B10GLACASP1CASP7
SCHEMBL1903735 0.75 NPC1 (0.68) RPS6KB2HSD17B10GLACASP1CASP7
SCHEMBL1903037 0.75 NPC1 (0.68) RPS6KB2HSD17B10GLACASP1CASP7
SCHEMBL1901859 0.75 NPC1 (0.68) RPS6KB2HSD17B10GLACASP1CASP7
Hydrochloric Acid SCHEMBL30418554 0.74 RAB9A (0.97) RPS6KB2HSD17B10GLACASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143727-B1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARM INC (US) 2015-01-21 EP disclosed
US-8236807-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-08-07 US disclosed
US-RE42375-E1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-20100015092-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS NAKAJIMA SUANNE 2010-01-21 US disclosed
EP-2143727-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors Enanta Pharmaceuticals, Inc. (US) 2010-01-13 EP disclosed
EP-1615613-B1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2009-11-04 EP disclosed
US-7566719-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-07-28 US disclosed
US-20080152622-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC 2008-06-26 US disclosed
US-7368452-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
EP-1615613-A4 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-02-14 EP disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
EP-1615613-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2006-01-18 EP disclosed
US-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2004-12-30 US disclosed
WO-2004093798-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-11-04 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-20100015092-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, HPN RPS6KB2 4186/4885HSD17B10 825/4885GLA 1882/4885
US-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, CTSC RPS6KB2 4192/4885HSD17B10 818/4885GLA 1938/4885
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, HPN RPS6KB2 4186/4885HSD17B10 825/4885GLA 1882/4885
US-20080152622-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, HPN RPS6KB2 4186/4885HSD17B10 825/4885GLA 1882/4885

“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.