SCHEMBL20415

SCHEMBL20415

COC(=O)C=Cc1ccc(C=O)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.56
APP P05067 1/20 0.56
PTPN1 P18031 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
TYR P14679 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
EPHX2 P34913 1/20 0.52
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
JAK2 O60674 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
FDPS P14324 1/20 0.49
IP6K1 Q92551 1/20 0.47

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
SCHEMBL20414 1.00 TTR (0.56) TTRAPPPTPN1CA12CA1
SCHEMBL1321264 0.84 NR1H4 (0.41) TTRAPPPTPN1EPHX2KDM4E
SCHEMBL1321266 0.84 NR1H4 (0.41) TTRAPPPTPN1EPHX2KDM4E
SCHEMBL31560386 0.84 TTR (0.63) TTRAPPPTPN1CA12CA1
SCHEMBL6960203 0.84 TTR (0.63) TTRAPPPTPN1CA12CA1
SCHEMBL6960198 0.84 TTR (0.63) TTRAPPPTPN1CA12CA1
SCHEMBL21010822 0.83 TTR (0.58) TTRAPPPTPN1CA12CA1
SCHEMBL19504285 0.82 EPHX2 (0.68) TTRAPPPTPN1CA12CA1
SCHEMBL14926722 0.81 TTR (0.59) TTRAPPPTPN1CA12CA1
SCHEMBL2085779 0.81 TTR (0.73) TTRAPPPTPN1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190038607-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-02-07 US disclosed
US-10130617-B2 Chemical compounds ASTRAZENECA AB (SE) 2018-11-20 US disclosed
US-20170326115-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2017-11-16 US disclosed
EP-3004090-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2017-10-25 EP disclosed
US-9616050-B2 Chemical compounds ASTRAZENECA AB (SE) 2017-04-11 US disclosed
US-20160136140-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-05-19 US disclosed
EP-3004090-A1 CHEMICAL COMPOUNDS Astrazeneca AB (SE) 2016-04-13 EP disclosed
US-9155727-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-10-13 US disclosed
US-20140357661-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2014-12-04 US disclosed
WO-2014191726-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2014-12-04 WO disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 EP disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 US 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 (7 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 TTR 4300/4885APP 3860/4885PTPN1 4014/4885
US-10130617-B2 Chemical compounds MKI67, RB1, CCNI TTR 2241/4885APP 2704/4885PTPN1 1799/4885
US-20190038607-A1 CHEMICAL COMPOUNDS MKI67, RB1, CCNI TTR 2241/4885APP 2704/4885PTPN1 1799/4885
US-20140357661-A1 CHEMICAL COMPOUNDS MKI67, RB1, CCNI TTR 2411/4885APP 2806/4885PTPN1 1736/4885
US-20170326115-A1 CHEMICAL COMPOUNDS MKI67, RB1, CCNI TTR 2241/4885APP 2704/4885PTPN1 1799/4885
US-20160136140-A1 Chemical Compounds MKI67, RB1, CCNI TTR 2241/4885APP 2704/4885PTPN1 1799/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 TTR 4451/4885APP 3926/4885PTPN1 3885/4885

“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.