SCHEMBL14948306

SCHEMBL14948306

CCOC(=O)CC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
PREP P48147 4/20 0.61
GFER P55789 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CTRB1 P17538 1/20 0.56
PRCP P42785 1/20 0.56
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.54

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
SCHEMBL12953075 0.97 TSHR (0.58) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL3691433 0.91 PREP (0.63) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL3560163 0.87 PREP (0.61) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL13374867 0.87 PREP (0.61) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL13389110 0.87 TSHR (0.65) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL847403 0.86 TSHR (0.64) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL14893288 0.86 TSHR (0.64) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL5248816 0.84 FKBP1A (0.53) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL5248179 0.84 KLK7 (0.56) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL3562100 0.84 TSHR (0.61) TSHRL3MBTL1KDM4ELMNAPREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126986-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2015-09-08 US disclosed
US-9126986-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2015-09-08 US disclosed
US-20140357626-A1 Hetero-Bicyclic Derivatives As HCV Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2014-12-04 US disclosed
US-20140357626-A1 Hetero-Bicyclic Derivatives As HCV Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2014-12-04 US disclosed
US-8815849-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN R&D IRELAND (IE) 2014-08-26 US disclosed
US-8815849-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN R&D IRELAND (IE) 2014-08-26 US disclosed
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors JANSSEN R&D IRELAND (IL) 2013-05-16 US disclosed
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors JANSSEN R&D IRELAND (IL) 2013-05-16 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 (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-20140357626-A1 Hetero-Bicyclic Derivatives As HCV Inhibitors HAVCR2, ZC3HAV1, SUB1 TSHR 4586/4885L3MBTL1 4013/4885KDM4E 3631/4885
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors HAVCR2, ZC3HAV1, SUB1 TSHR 4569/4885L3MBTL1 3971/4885KDM4E 3449/4885

“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.