SCHEMBL7906267

SCHEMBL7906267

CC(C)C(=O)Nc1nc(C(=O)O)cs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.68
TYR P14679 1/20 0.51
LMNA P02545 2/20 0.49
POLB P06746 3/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AOC3 Q16853 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CDK5 Q00535 1/20 0.44
CYP1A2 P05177 2/20 0.43
GAA P10253 2/20 0.43
CYP2C9 P11712 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL20086450 0.84 TYR (0.49) L3MBTL1TYRLMNANPC1RAB9A
SCHEMBL20819381 0.81 TYR (0.47) L3MBTL1TYRLMNAPOLBNPC1
SCHEMBL758061 0.81 L3MBTL1 (1.00) L3MBTL1TYRLMNAPOLBNPC1
SCHEMBL27890416 0.80 L3MBTL1 (0.62) L3MBTL1POLBNPC1RAB9AMEN1
SCHEMBL2744060 0.79 L3MBTL1 (0.62) L3MBTL1TYRPOLBNPC1RAB9A
SCHEMBL9570949 0.79 MAPT (0.60) L3MBTL1TYRLMNAPOLBNPC1
SCHEMBL27944093 0.79 TYR (0.57) L3MBTL1TYRLMNANPC1RAB9A
SCHEMBL4875411 0.79 CYP1A2 (0.71) L3MBTL1LMNAPOLBNPC1RAB9A
Bromide SCHEMBL2241396 0.78 L3MBTL1 (0.60) L3MBTL1TYRPOLBNPC1RAB9A
SCHEMBL1808047 0.78 L3MBTL1 (0.70) L3MBTL1LMNAPOLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331538-B1 CRYSTALLINE FORMS OF A 2-THIAZOLYL- 4-QUINOLINYL-OXY DERIVATIVE, A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2014-04-16 EP disclosed
EP-2687526-A1 Crystalline forms of a 2-thiazolyl- 4-quinolinyl-oxy derivative, a potent HCV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-22 EP disclosed
US-8362035-B2 Crystalline forms of a potent HCV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362035-B2 Crystalline forms of a potent HCV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-20120270775-A1 CRYSTALLINE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120270775-A1 CRYSTALLINE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-8232293-B2 Crystalline forms of a potent HCV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
US-8232293-B2 Crystalline forms of a potent HCV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
US-20120142929-A1 PROCESS FOR PREPARING SULFONYL QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142929-A1 PROCESS FOR PREPARING SULFONYL QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
WO-2010107965-A1 PROCESS FOR PREPARING SULFONYL QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 WO disclosed
CN-1794988-B Composition for treating vascular hyperpermeable disease SUCAMPO AG 2010-07-28 CN disclosed
US-20100093792-A1 CRYSTALLINE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093792-A1 CRYSTALLINE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2010033444-A1 CRYSTALLINE FORMS OF A 2-THIAZOLYL- 4-QUINOLINYL-OXY DERIVATIVE, A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 WO disclosed
CN-1794988-A Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-06-28 CN 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-20100093792-A1 CRYSTALLINE FORMS OF A POTENT HCV INHIBITOR HAVCR2, SLC10A1, ZC3HAV1 L3MBTL1 4444/4885TYR 4008/4885LMNA 3920/4885
US-20120270775-A1 CRYSTALLINE FORMS OF A POTENT HCV INHIBITOR HAVCR2, SLC10A1, ZC3HAV1 L3MBTL1 4444/4885TYR 4008/4885LMNA 3920/4885
US-20120142929-A1 PROCESS FOR PREPARING SULFONYL QUINOLINES GYS2, CYP3A7, GBA1 L3MBTL1 4850/4885TYR 1100/4885LMNA 2710/4885

“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.