SCHEMBL751850

SCHEMBL751850

CC(C)(O)C1=C(c2ccc(Cc3ccc(F)cc3)cn2)CNC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.36
KCNH2 Q12809 2/20 0.36
XIAP P98170 4/20 0.34
BIRC2 Q13490 3/20 0.34
PARP1 P09874 4/20 0.34
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1G2 P78368 1/20 0.32
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31
AURKA O14965 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
LCK P06239 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
SCHEMBL752928 0.85 CYP4F2 (0.49) CYP4F2CYP4A11
SCHEMBL754582 0.79 NR3C2 (0.40) BRS3CSNK1A1CSNK1DCSNK1G2MAPK14
SCHEMBL754143 0.69 PARP1 (0.33) BRS3PARP1MAPT
SCHEMBL752339 0.68 LIPG (0.42) CYP11B1CYP11B2AURKAABL1NTRK1
SCHEMBL751851 0.66 CYP11B1 (0.32) CNR1CNR2CYP11B1CYP11B2AURKA
SCHEMBL765660 0.65 CYP4F2 (0.52) CYP4F2CYP4A11
SCHEMBL753420 0.65 ALDH1A1 (0.39) PARP1MAPT
SCHEMBL755768 0.64 LIPG (0.34) CYP11B1CYP11B2MET
SCHEMBL755074 0.63 SMN1; SMN2 (0.36) BRS3KCNH2CNR2CYP11B1CYP11B2
SCHEMBL17922030 0.63 HRH3 (0.34) KCNH2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT BRS3 4722/4885KCNH2 3468/4885XIAP 206/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRS3 4576/4885KCNH2 3830/4885XIAP 189/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BRS3 4576/4885KCNH2 3830/4885XIAP 189/4885

“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.