SCHEMBL14457463

SCHEMBL14457463

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA14 Q9ULX7 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL5215551 0.80 SMN1; SMN2 (0.37) SMN1; SMN2KMT2ACA1CA2CA14
SCHEMBL19294661 0.79
SCHEMBL19294655 0.79
SCHEMBL19294657 0.79
SCHEMBL23220986 0.78 CA14 (0.33) SMN1; SMN2KMT2ACA1CA2CA14
SCHEMBL28393656 0.78 SMN1; SMN2 (0.33) SMN1; SMN2KMT2ACA1CA2
SCHEMBL2379201 0.75 CHRNB2 (0.33) SMN1; SMN2
SCHEMBL9069054 0.74 ATM (0.47) SMN1; SMN2TSHR
SCHEMBL5606099 0.71 SMN1; SMN2 (0.39) SMN1; SMN2KMT2ACA1CA2CA14
SCHEMBL21076339 0.71 CA1 (0.30) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20130005976-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2013-01-03 US 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 SMN1; SMN2 4662/4885KMT2A 4366/4885CA1 117/4885
US-20170152253-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV HAVCR2, RNASE1, CPB1 SMN1; SMN2 4090/4885KMT2A 4558/4885CA1 822/4885
US-20130005976-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV HAVCR2, RNASE1, CPB1 SMN1; SMN2 4090/4885KMT2A 4558/4885CA1 822/4885

“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.