SCHEMBL9308973

SCHEMBL9308973

COC(=O)[C@H]1CC=CC[C@@H]1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM3 P20309 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL8246813 1.00 GAA (0.41) GAANPSR1POLBCYP3A4CYP1A2
SCHEMBL13198671 1.00 GAA (0.41) GAANPSR1POLBCYP3A4CYP1A2
SCHEMBL418070 1.00 GAA (0.41) GAANPSR1POLBCYP3A4CYP1A2
SCHEMBL418068 1.00 GAA (0.41) GAANPSR1POLBCYP3A4CYP1A2
SCHEMBL3739039 0.91 ALDH1A1 (0.49) GAANPSR1POLBTSHRHSD17B10
SCHEMBL5823247 0.91 ALDH1A1 (0.49) GAANPSR1POLBTSHRHSD17B10
SCHEMBL417370 0.91 ALDH1A1 (0.49) GAANPSR1POLBTSHRHSD17B10
SCHEMBL5768836 0.91 ALDH1A1 (0.49) GAANPSR1POLBTSHRHSD17B10
SCHEMBL418463 0.91 ALDH1A1 (0.49) GAANPSR1POLBTSHRHSD17B10
SCHEMBL19730192 0.91 ALDH1A1 (0.49) GAANPSR1POLBTSHRHSD17B10

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-2547645-B1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV JANSSEN PHARMACEUTICALS INC (US) 2018-07-04 EP 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-20170152253-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2017-06-01 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
US-9586893-B2 Processes and intermediates for preparing a macrocyclic protease inhibitor of HCV Janssen Pharmaceuticals (US) 2017-03-07 US disclosed
US-9586893-B2 Processes and intermediates for preparing a macrocyclic protease inhibitor of HCV Janssen Pharmaceuticals (US) 2017-03-07 US disclosed
US-9227965-B2 Processes and intermediates for preparing a macrocyclic protease inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2016-01-05 US disclosed
US-9227965-B2 Processes and intermediates for preparing a macrocyclic protease inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2016-01-05 US disclosed
US-20140228574-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV JANSSEN PHARMACEUTICA NV (BE) 2014-08-14 US disclosed
US-20140228574-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV JANSSEN PHARMACEUTICA NV (BE) 2014-08-14 US disclosed
WO-2013041655-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV Janssen Pharmaceuticals, Inc. (US) 2013-03-28 WO disclosed
US-20130005976-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2013-01-03 US disclosed
US-20130005976-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2013-01-03 US disclosed
US-5374625-A Bis/hydroxymethyl/cycloalkyl derivatives; viricides NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-12-20 US disclosed
EP-0468352-A2 Novel nucleic acid derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1992-01-29 EP 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-20140228574-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV CPN1, CMA1, CYP51A1 GAA 177/4885NPSR1 1358/4885POLB 1016/4885
US-20170152253-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV HAVCR2, RNASE1, CPB1 GAA 586/4885NPSR1 251/4885POLB 1852/4885
US-20130005976-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV HAVCR2, RNASE1, CPB1 GAA 586/4885NPSR1 251/4885POLB 1852/4885

“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.