SCHEMBL313693

SCHEMBL313693

COc1ccc2c(O)cc(-c3nc(C(C)C)cs3)nc2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.38
MAPT P10636 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.35
GFER P55789 1/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A1 P04798 4/20 0.34
CYP1B1 Q16678 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2E1 P05181 1/20 0.34

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
SCHEMBL7944203 0.90 CTSS (0.40) CTSSMAPTMEN1KMT2AALDH1A1
SCHEMBL883446 0.88 MAPT (0.38) CTSSMAPTMEN1KMT2AALDH1A1
SCHEMBL312885 0.88 MAPT (0.35) CTSSMAPTMEN1KMT2AALDH1A1
SCHEMBL995496 0.88 ALDH1A1 (0.35) CTSSMAPTMEN1KMT2AALDH1A1
SCHEMBL12658415 0.88 MAPT (0.35) CTSSMAPTMEN1KMT2AALDH1A1
SCHEMBL314499 0.88 MAPT (0.35) CTSSMAPTMEN1KMT2AALDH1A1
SCHEMBL13336763 0.87 CTSS (0.37) CTSSMAPTMEN1KMT2AALDH1A1
SCHEMBL1954615 0.87 CTSS (0.32) CTSS
SCHEMBL8005359 0.86 CTSS (0.36) CTSSMAPTMEN1KMT2AALDH1A1
SCHEMBL874861 0.86 CTSS (0.36) CTSSMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042910-B1 2'-SPIRO-NUCLEOSIDES FOR USE IN THE THERAPY OF HEPATITIS C GILEAD PHARMASSET LLC (US) 2019-01-09 EP disclosed
EP-2547645-B1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV JANSSEN PHARMACEUTICALS INC (US) 2018-07-04 EP disclosed
WO-2018028634-A1 SALTS AS HCV INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-15 WO disclosed
US-9856265-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2018-01-02 US disclosed
US-9856265-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2018-01-02 US disclosed
EP-3239129-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV Janssen Pharmaceuticals, Inc. (US) 2017-11-01 EP disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-20170152253-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2017-06-01 US disclosed
WO-2008096002-A1 HCV INHIBITING MACROCYCLIC PHOSPHONATES AND AMIDOPHOSPHATES TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 WO disclosed
WO-2008092955-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-07 WO disclosed
WO-2008092954-A2 POLYMORPHIC FORMS OF A MACROCYCLIC INHIBITOR OF HCV TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-07 WO disclosed
WO-2008092954-A2 POLYMORPHIC FORMS OF A MACROCYCLIC INHIBITOR OF HCV TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-07 WO disclosed
EP-1912995-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
EP-1912999-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
WO-2007014919-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014919-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014926-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014926-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS CTSS 1949/4885MAPT 4865/4885MEN1 4185/4885
US-20170152253-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV HAVCR2, RNASE1, CPB1 CTSS 39/4885MAPT 2229/4885MEN1 3500/4885

“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.