SCHEMBL17080233

SCHEMBL17080233

COC(=O)c1ccc(Sc2cc(F)ccc2C(=O)OC)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
MAPT P10636 6/20 0.50
LMNA P02545 1/20 0.50
VCAM1 P19320 1/20 0.48
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PDE7A Q13946 1/20 0.43

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
SCHEMBL17080222 0.92 HPGD (0.54) HPGDMAPTLMNAVCAM1POLB
SCHEMBL18381838 0.92 HPGD (0.58) HPGDMAPTLMNAVCAM1POLB
SCHEMBL17085945 0.87 HPGD (0.54) HPGDMAPTLMNAVCAM1POLB
SCHEMBL17080227 0.87 HPGD (0.54) HPGDMAPTLMNAVCAM1POLB
SCHEMBL17080117 0.86 HPGD (0.56) HPGDMAPTLMNAVCAM1POLB
SCHEMBL16430875 0.84 MAPT (0.58) HPGDMAPTLMNAVCAM1POLB
SCHEMBL30610315 0.84 MAPT (0.58) HPGDMAPTLMNAVCAM1POLB
SCHEMBL17080221 0.84 HPGD (0.54) HPGDMAPTLMNAVCAM1POLB
SCHEMBL18667397 0.82 HPGD (0.51) HPGDMAPTLMNAVCAM1POLB
SCHEMBL4003687 0.81 MAPT (0.50) MAPTLMNAPOLBMEN1KMT2A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2023-02-09 US disclosed
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2023-02-09 US disclosed
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
US-10183936-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-01-22 US disclosed
US-20180273521-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research and Technology Corporationt (US) 2018-09-27 US disclosed
US-20180258084-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-09-13 US disclosed
WO-2017048950-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 WO disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 US disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 US disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 US disclosed
EP-3116316-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research And Technology Corporation (US) 2017-01-18 EP disclosed
WO-2015138895-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-09-17 WO disclosed
WO-2015138895-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-09-17 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-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 HPGD 3691/4885MAPT 2680/4885LMNA 4824/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 HPGD 3691/4885MAPT 2680/4885LMNA 4824/4885
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HPGD 3375/4885MAPT 2896/4885LMNA 4706/4885
US-20180273521-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 HPGD 3691/4885MAPT 2680/4885LMNA 4824/4885
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HPGD 3375/4885MAPT 2896/4885LMNA 4706/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS HPGD 3375/4885MAPT 2896/4885LMNA 4706/4885
US-10183936-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 HPGD 3691/4885MAPT 2680/4885LMNA 4824/4885
US-20180258084-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HPGD 3375/4885MAPT 2896/4885LMNA 4706/4885

“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.