SCHEMBL753960

SCHEMBL753960

CCOC(=O)CCNCC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
CTSK P43235 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
LTA4H P09960 3/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TOP2A P11388 1/20 0.35

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
SCHEMBL15194399 0.93 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTHPGDGAA
SCHEMBL12581334 0.87 MAOA (0.41) ALDH1A1KMT2AMAPTHPGDGAA
SCHEMBL7437449 0.85 GAA (0.48) ALDH1A1KMT2AMAPTHPGDGAA
Hydrochloric Acid SCHEMBL13269542 0.85 MAOA (0.40) ALDH1A1KMT2AMAPTHPGDGAA
SCHEMBL837763 0.85 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTHPGDGAA
SCHEMBL5884644 0.84 TSHR (0.44) ALDH1A1KMT2ALTA4HMAOAMAOB
SCHEMBL3809747 0.84 MAOA (0.39) ALDH1A1KMT2AMAPTHPGDGAA
SCHEMBL6018870 0.84 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTHPGDGAA
SCHEMBL6018875 0.84 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTHPGDGAA
SCHEMBL7428662 0.83 GAA (0.47) ALDH1A1KMT2AMAPTHPGDGAA

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 12 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
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 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 ALDH1A1 658/4885KMT2A 516/4885MAPT 4635/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885KMT2A 667/4885MAPT 4426/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885KMT2A 667/4885MAPT 4426/4885

“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.