SCHEMBL998215

SCHEMBL998215

COC(=O)[C@]1(C(=O)OC(C)(C)C)CCCN1O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.33
PPIA P62937 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
EPHX2 P34913 1/20 0.32
DGAT1 O75907 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
RECQL P46063 1/20 0.31
CTSK P43235 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
SCHEMBL2216266 0.87 HPGD (0.33) HPGDUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL8585741 0.87 HPGD (0.33) HPGDUSP2SMN1; SMN2CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL30415065 0.83 EPHX1 (0.33) HPGDUSP2SMN1; SMN2EPHX1PPIA
SCHEMBL19281600 0.76 CYP4F2 (0.35) HPGDUSP2SMN1; SMN2EPHX1CYP4F2
SCHEMBL4959664 0.76 PPIA (0.32) HPGDPPIACYP4F2CYP4A11
SCHEMBL15922454 0.75 GRIN2B (0.39) HPGDUSP2SMN1; SMN2EPHX1EPHX2
SCHEMBL7995307 0.75 MAPK1 (0.36) PPIA
SCHEMBL4299193 0.74 CYP4F2 (0.32) USP2SMN1; SMN2CYP4F2CYP4A11CTSK
SCHEMBL15937138 0.74 GRIN2B (0.39) HPGDUSP2SMN1; SMN2EPHX1EPHX2
SCHEMBL31499365 0.74 CYP4F2 (0.32) CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856265-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2018-01-02 US disclosed
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 US disclosed
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Janssen Sciences Ireland Unlimited Company (IE) 2016-08-18 US disclosed
US-9353103-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2016-05-31 US disclosed
EP-2937339-A1 Macrocylic inhibitors of hepatitis c virus Janssen Sciences Ireland UC (IE) 2015-10-28 EP disclosed
EP-2322516-B1 Intermediates for the preparation of Macrocyclic inhibitors of hepatitis c virus JANSSEN SCIENCES IRELAND UC (IE) 2015-09-23 EP disclosed
US-20150218153-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN R & D IRELAND (IE) 2015-08-06 US disclosed
US-9040562-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2015-05-26 US disclosed
US-20140255347-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN R&D IRELAND (IE) 2014-09-11 US disclosed
US-20130217725-A1 Macrocyclic Inhibitors Of Hepatitis C Virus MEDIVIR AB (SE) 2013-08-22 US disclosed
US-20130089520-A1 Macrocyclic Inhibitors Of Hepatitis C Virus MEDIVIR AB (SE) 2013-04-11 US disclosed
US-8349869-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2013-01-08 US disclosed
US-20120171157-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2012-07-05 US disclosed
US-8153800-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-04-10 US disclosed
US-8148399-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-04-03 US disclosed
US-20110295012-A1 Macrocyclic Inhibitors Of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2011-12-01 US disclosed
EP-2322516-A1 Intermediates for the preparation of Macrocyclic inhibitors of hepatitis c virus Tibotec Pharmaceuticals Ltd. (IE) 2011-05-18 EP disclosed
EP-1912999-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-05 EP disclosed
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus MEDIVIR AB (SE) 2009-11-12 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 (9 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 HPGD 1004/4885USP2 2528/4885SMN1; SMN2 4284/4885
US-20090281140-A1 Macrocyclic inhibitors of hepatitis c virus CYP2A7, CYP3A7, HCCS HPGD 1004/4885USP2 2528/4885SMN1; SMN2 4284/4885
US-20140255347-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS HPGD 1004/4885USP2 2528/4885SMN1; SMN2 4284/4885
US-20160235737-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS HPGD 1004/4885USP2 2528/4885SMN1; SMN2 4284/4885
US-20130217725-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS HPGD 1004/4885USP2 2528/4885SMN1; SMN2 4284/4885
US-20110295012-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, HCCS, CYP3A7 HPGD 984/4885USP2 2547/4885SMN1; SMN2 4263/4885
US-20120171157-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS HPGD 1004/4885USP2 2528/4885SMN1; SMN2 4284/4885
US-20150218153-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS HPGD 1004/4885USP2 2528/4885SMN1; SMN2 4284/4885
US-20130089520-A1 Macrocyclic Inhibitors Of Hepatitis C Virus CYP2A7, CYP3A7, HCCS HPGD 1004/4885USP2 2528/4885SMN1; SMN2 4284/4885

“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.