SCHEMBL753407

SCHEMBL753407

COC(=O)c1cc(=O)c(O)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
POLB P06746 2/20 0.46
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 2/20 0.38
PKM P14618 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
HSP90AA1 P07900 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSP90B1 P14625 1/20 0.38

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
Dimethylamine SCHEMBL752802 0.88 CNR2 (0.38) HTTPOLBALDH1A1MAPTLMNA
SCHEMBL753088 0.86 POLB (0.38) POLBALDH1A1MAPTLMNANPSR1
SCHEMBL754998 0.86 KMT2A (0.42) HTTPOLBALDH1A1MAPTKMT2A
Methylamine SCHEMBL753441 0.85 CNR2 (0.38) POLBALDH1A1KDM4EMAPTCNR2
SCHEMBL753335 0.84 CNR2 (0.38) HTTPOLBALDH1A1KMT2ALMNA
SCHEMBL755559 0.84 MMP3 (0.47) HTTPOLBALDH1A1KDM4EKMT2A
Ethylamine SCHEMBL753922 0.83 CNR2 (0.37) POLBALDH1A1KDM4EMAPTKMT2A
Isopropylamine SCHEMBL755786 0.83 CNR2 (0.37) POLBALDH1A1MAPTKMT2ALMNA
SCHEMBL755785 0.83 ALDH1A1 (0.39) POLBALDH1A1KDM4EMAPTKMT2A
SCHEMBL16925319 0.83 HTT (0.43) HTTPOLBKMT2ALMNATSHR

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 17 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-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US 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
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 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
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US 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 HTT 4561/4885POLB 89/4885ALDH1A1 658/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HTT 4541/4885POLB 107/4885ALDH1A1 424/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HTT 4541/4885POLB 107/4885ALDH1A1 424/4885

“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.