SCHEMBL752966

SCHEMBL752966

CC(O)(O)CC1=C(C(=O)c2ccc(Cc3ccc(F)cc3)o2)CNC1=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PARP1 P09874 1/20 0.31
TP53 P04637 2/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HPGD P15428 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
SCHEMBL752898 0.85 POLB (0.37) ALDH1A1POLBLMNATSHRGAA
SCHEMBL754448 0.83 ALDH1A1 (0.35) ALDH1A1POLBLMNATSHRGAA
SCHEMBL752052 0.81 POLB (0.39) ALDH1A1POLBLMNATSHRCNR2
SCHEMBL755130 0.72 ALDH1A1 (0.34) ALDH1A1POLBLMNATSHRPARP1
SCHEMBL756872 0.72 POLB (0.37) ALDH1A1POLBLMNATSHRPARP1
SCHEMBL752031 0.70 ALDH1A1 (0.36) ALDH1A1POLBLMNATSHRGAA
SCHEMBL755282 0.70 RIPK1 (0.33) ALDH1A1LMNAPARP1TP53CYP1A2
SCHEMBL2513404 0.68 POLB (0.42) ALDH1A1POLBLMNATSHRTP53
SCHEMBL752899 0.68 LIPG (0.51) ALDH1A1POLBLMNATSHR
SCHEMBL6815090 0.67 CNR2 (0.36) ALDH1A1POLBLMNATSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885POLB 107/4885LMNA 2945/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885POLB 107/4885LMNA 2945/4885

“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.