SCHEMBL17080189

SCHEMBL17080189

CCN(c1ccccc1C(=O)OC)c1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 12/20 0.58
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.43
CDC25B P30305 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
SCHEMBL29441730 0.93 VCAM1 (0.50) HCAR3MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL18381542 0.93 VCAM1 (0.50) HCAR3MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL17080210 0.89 HCAR3 (0.50) HCAR3MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL28230871 0.86 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL28118636 0.86 KMT2A (0.41) HCAR3MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL18666979 0.85 HCAR3 (0.50) HCAR3MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL17085960 0.84 POLB (0.49) HCAR3MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL29441709 0.84 POLB (0.49) HCAR3MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL29441708 0.78 VCAM1 (0.53) HCAR3MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL17086143 0.78 VCAM1 (0.53) HCAR3MAPTALDH1A1SMN1; SMN2KMT2A

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 22 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-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-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
US-10968211-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-06 US disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
EP-3782626-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2021-02-24 EP disclosed
CN-112094264-A Hepatitis B core protein modulators 组装生物科学股份有限公司 2020-12-18 CN 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
CN-108347943-B Hepatitis B core protein modulators 组装生物科学股份有限公司 2020-07-10 CN 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-20180258084-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-09-13 US disclosed
CN-108347942-A HEPATITIS B CORE PROTEIN MODULATORS 组装生物科学股份有限公司 2018-07-31 CN disclosed
EP-3349580-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2018-07-25 EP 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
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 (10 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 HCAR3 3519/4885MAPT 2680/4885ALDH1A1 4382/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 HCAR3 3519/4885MAPT 2680/4885ALDH1A1 4382/4885
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HCAR3 3493/4885MAPT 2896/4885ALDH1A1 4316/4885
US-20180273521-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 HCAR3 3519/4885MAPT 2680/4885ALDH1A1 4382/4885
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HCAR3 3493/4885MAPT 2896/4885ALDH1A1 4316/4885
US-10968211-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS HCAR3 3493/4885MAPT 2896/4885ALDH1A1 4316/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS HCAR3 3493/4885MAPT 2896/4885ALDH1A1 4316/4885
US-10183936-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 HCAR3 3519/4885MAPT 2680/4885ALDH1A1 4382/4885
US-20180258084-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HCAR3 3493/4885MAPT 2896/4885ALDH1A1 4316/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 HCAR3 3519/4885MAPT 2680/4885ALDH1A1 4382/4885

“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.