SCHEMBL12104751

SCHEMBL12104751

CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc(-c2ccc3cc(-c4ccc5cc(-c6cnc([C@@H]7C[C@H]8C[C@H]8N7C(=O)OC(C)(C)C)[nH]6)ccc5c4)ccc3c2)c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.38
GSK3B P49841 3/20 0.35
DYRK1A Q13627 3/20 0.35
PRCP P42785 4/20 0.34
SSTR3 P32745 1/20 0.34
NR1I2 O75469 2/20 0.33
WNT1 P04628 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
ABCB11 O95342 1/20 0.32
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32
F11 P03951 2/20 0.31
F2 P00734 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
ABL1 P00519 1/20 0.31

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
SCHEMBL17249899 1.00 HPGDS (0.38) HPGDSGSK3BDYRK1APRCPSSTR3
SCHEMBL1293958 0.97 HPGDS (0.38) HPGDSGSK3BDYRK1APRCPSSTR3
SCHEMBL1293956 0.97 HPGDS (0.38) HPGDSGSK3BDYRK1APRCPSSTR3
SCHEMBL1293638 0.94 HPGDS (0.37) HPGDSGSK3BDYRK1APRCPSSTR3
SCHEMBL17938123 0.94 HPGDS (0.37) HPGDSGSK3BDYRK1APRCPSSTR3
SCHEMBL1293641 0.94 HPGDS (0.37) HPGDSGSK3BDYRK1APRCPSSTR3
SCHEMBL19414607 0.94 HPGDS (0.37) HPGDSGSK3BDYRK1APRCPSSTR3
SCHEMBL19697854 0.93 HPGDS (0.42) HPGDSGSK3BDYRK1APRCPSSTR3
SCHEMBL19414556 0.93 CYP2C9 (0.40) HPGDSGSK3BDYRK1APRCPSSTR3
SCHEMBL12107495 0.91 HPGDS (0.41) HPGDSGSK3BDYRK1APRCPSSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9303007-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-05 US disclosed
US-20150322048-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 US disclosed
US-20150322048-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 US disclosed
US-20150322031-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 US disclosed
US-20150197499-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-07-16 US disclosed
US-9006455-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-14 US disclosed
US-9006455-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-14 US disclosed
US-20130115193-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-09 US disclosed
US-20110274648-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 US disclosed
US-20110269956-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 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 (7 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL HPGDS 679/4885GSK3B 619/4885DYRK1A 4828/4885
US-20150322031-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885GSK3B 519/4885DYRK1A 4829/4885
US-20150197499-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885GSK3B 519/4885DYRK1A 4829/4885
US-20110269956-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS HPGDS 1862/4885GSK3B 1377/4885DYRK1A 4740/4885
US-20150322048-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885GSK3B 519/4885DYRK1A 4829/4885
US-20110274648-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885GSK3B 519/4885DYRK1A 4829/4885
US-20130115193-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885GSK3B 519/4885DYRK1A 4829/4885

“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.