SCHEMBL17080225

SCHEMBL17080225

COC(=O)c1ccc(Sc2ccc(C)cc2C(=O)OC)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HPGD P15428 3/20 0.55
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 5/20 0.52
LMNA P02545 3/20 0.52
VCAM1 P19320 1/20 0.50
POLB P06746 2/20 0.49
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL17080227 0.92 HPGD (0.54) SLC6A2SLC6A4SLC6A3HPGDALDH1A1
SCHEMBL17080181 0.87 HPGD (0.57) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL17080222 0.87 HPGD (0.54) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL16430875 0.86 MAPT (0.58) SLC6A2SLC6A4SLC6A3HPGDALDH1A1
SCHEMBL30610315 0.86 MAPT (0.58) SLC6A2SLC6A4SLC6A3HPGDALDH1A1
SCHEMBL18381838 0.86 HPGD (0.58) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL18381547 0.83 HPGD (0.48) SLC6A2SLC6A4SLC6A3HPGDALDH1A1
SCHEMBL17085945 0.82 HPGD (0.54) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL17080233 0.81 HPGD (0.53) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL17080117 0.81 HPGD (0.56) HPGDALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
EP-3974426-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research and Technology Corporation (US) 2022-03-30 EP disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
CN-106413402-B Hepatitis b core protein allosteric modulators 美国印第安纳大学研究和技术公司 2020-10-30 CN disclosed
EP-3607950-A2 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research & Technology Corporation (US) 2020-02-12 EP disclosed
EP-3116316-B1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS UNIV INDIANA RES & TECH CORP (US) 2019-07-10 EP 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 SLC6A2 4602/4885SLC6A4 4315/4885SLC6A3 4663/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 SLC6A2 4602/4885SLC6A4 4315/4885SLC6A3 4663/4885
US-20180273521-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 SLC6A2 4602/4885SLC6A4 4315/4885SLC6A3 4663/4885
US-10183936-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 SLC6A2 4602/4885SLC6A4 4315/4885SLC6A3 4663/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 SLC6A2 4602/4885SLC6A4 4315/4885SLC6A3 4663/4885

“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.