SCHEMBL19975061

SCHEMBL19975061

COC(=O)c1ccc(O)c(NC(=O)C(C)C(C)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 6/20 0.56
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
XDH P47989 1/20 0.53
LMNA P02545 2/20 0.51
LNPEP Q9UIQ6 4/20 0.50
KMT2A Q03164 2/20 0.49
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
TP53 P04637 2/20 0.48
ALOX15 P16050 2/20 0.48
ALOX12 P18054 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL17591923 0.84 KDM4E (0.57) KDM4EALDH1A1CA12CA1CA2
SCHEMBL7926073 0.84 KDM4E (0.57) KDM4EALDH1A1CA12CA1CA2
SCHEMBL1390875 0.83 KDM4E (0.53) KDM4EALDH1A1CA12CA1CA2
SCHEMBL1390872 0.83 KDM4E (0.53) KDM4EALDH1A1CA12CA1CA2
Hydrochloric Acid SCHEMBL1391474 0.83 KDM4E (0.56) KDM4EALDH1A1CA12CA1CA2
Hydrochloric Acid SCHEMBL1391475 0.83 KDM4E (0.56) KDM4EALDH1A1CA12CA1CA2
SCHEMBL18581589 0.82 KDM4E (0.55) KDM4EALDH1A1CA12CA1CA2
SCHEMBL7420862 0.82 ALDH1A1 (0.69) KDM4EALDH1A1CA12CA1CA2
SCHEMBL12339799 0.79 GAA (0.58) CA12CA1CA2CA9KMT2A
SCHEMBL8959475 0.77 CA12 (0.61) KDM4EALDH1A1CA12CA1CA2

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-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-27 US disclosed
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-27 US disclosed
US-10987360-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-10987360-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2019-08-22 US disclosed
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2019-08-22 US disclosed
EP-3512845-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2019-07-24 EP disclosed
WO-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 WO disclosed
WO-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 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 (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-10987360-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS KDM4E 2469/4885ALDH1A1 3992/4885CA12 3579/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS KDM4E 2469/4885ALDH1A1 3992/4885CA12 3579/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS KDM4E 2469/4885ALDH1A1 3992/4885CA12 3579/4885

“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.