SCHEMBL3431892

SCHEMBL3431892

O=C(O)OCC1CCOC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
AOC3 Q16853 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37

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
SCHEMBL13195774 0.88 LMNA (0.40) HDAC3HDAC1HDAC2LMNAXDH
SCHEMBL3431890 0.86 AOC3 (0.41) HDAC3HDAC1HDAC2AOC3GABRP
SCHEMBL6914624 0.82 AOC3 (0.39) HDAC3HDAC1HDAC2AOC3GABRP
SCHEMBL399191 0.82 HDAC3 (0.37) HDAC3HDAC1HDAC2AOC3GABRP
SCHEMBL12352115 0.82 HDAC3 (0.39) HDAC3HDAC1HDAC2AOC3GABRP
SCHEMBL24409030 0.79 AOC3 (0.38) HDAC3HDAC1HDAC2AOC3GABRP
SCHEMBL10257415 0.79 AOC3 (0.43) HDAC3HDAC1HDAC2AOC3GABRP
SCHEMBL12234427 0.79 LMNA (0.32) LMNA
SCHEMBL16417930 0.78 HDAC3 (0.42) HDAC3HDAC1HDAC2AOC3LMNA
SCHEMBL19483228 0.78 TSHR (0.37) HDAC3HDAC1HDAC2AOC3GABRP

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-3427738-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2021-12-01 EP disclosed
US-10874673-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-29 US disclosed
US-20190151314-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2019-05-23 US disclosed
EP-3427738-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2019-01-16 EP disclosed
US-10039762-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-08-07 US disclosed
EP-3141252-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2018-07-25 EP disclosed
US-20180078553-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2018-03-22 US disclosed
US-9808459-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-11-07 US disclosed
US-20170100400-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2017-04-13 US disclosed
EP-3141252-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Inc. (US) 2017-03-15 EP disclosed
EP-2442809-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2016-08-31 EP disclosed
US-9345708-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-24 US disclosed
US-20140296201-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-8829007-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-09 US disclosed
US-20140142119-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-22 US disclosed
US-20120171245-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-05 US disclosed
WO-2010148197-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-23 WO 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 (8 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-20180078553-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 HDAC3 1109/4885HDAC1 165/4885HDAC2 93/4885
US-20190151314-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 HDAC3 1109/4885HDAC1 165/4885HDAC2 93/4885
US-20140296201-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 HDAC3 1109/4885HDAC1 165/4885HDAC2 93/4885
US-10874673-B2 Inhibitors of influenza viruses replication ACE, IRF3, ACE2 HDAC3 1109/4885HDAC1 165/4885HDAC2 93/4885
US-20120171245-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 HDAC3 1109/4885HDAC1 165/4885HDAC2 93/4885
US-10039762-B2 Inhibitors of influenza viruses replication ACE, IRF3, ACE2 HDAC3 1109/4885HDAC1 165/4885HDAC2 93/4885
US-20170100400-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 HDAC3 1109/4885HDAC1 165/4885HDAC2 93/4885
US-20140142119-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 HDAC3 1109/4885HDAC1 165/4885HDAC2 93/4885

“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.