SCHEMBL21827659

SCHEMBL21827659

CCOS(=O)(=O)c1ccc(C)cc1OCCN=[N+]=[N-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 6/20 0.34
▸ MAPT P10636 3/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TSHR P16473 5/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ POLB P06746 3/20 0.34
▸ CYP2C9 P11712 3/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL19616558 0.93 ABCG2 (0.41) MAPK1L3MBTL1MAPTMEN1KMT2A
SCHEMBL28452635 0.93 ABCG2 (0.41) MAPK1L3MBTL1MAPTMEN1KMT2A
SCHEMBL21815478 0.82 MEN1 (0.47) MAPK1HSD17B10L3MBTL1MAPTRAB9A
SCHEMBL28380826 0.81 TSHR (0.39) MAPK1HSD17B10L3MBTL1MAPTRAB9A
SCHEMBL28354485 0.81 TSHR (0.39) MAPK1HSD17B10L3MBTL1MAPTRAB9A
SCHEMBL4420431 0.81 L3MBTL1 (0.42) MAPK1L3MBTL1MAPTRAB9AATM
SCHEMBL21219198 0.81 ALDH1A1 (0.41) MAPK1L3MBTL1MAPTRAB9AATM
SCHEMBL27208962 0.81 MAPT (0.40) MAPK1HSD17B10L3MBTL1MAPTRAB9A
SCHEMBL28541140 0.80 ALDH1A1 (0.43) MAPK1L3MBTL1MAPTMEN1KMT2A
SCHEMBL28313554 0.80 MAPT (0.41) L3MBTL1MAPTRAB9AATMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118221656-A Compounds useful for the treatment of gastrointestinal disorders 阿德利克斯股份有限公司 2024-06-21 — — CN disclosed
CN-110267944-B Compounds useful for the treatment of gastrointestinal disorders 阿德利克斯股份有限公司 2024-03-08 — — CN disclosed
CN-116789636-A Bifunctional compound, preparation method, pharmaceutical composition and application thereof 北京康辰药业股份有限公司 2023-09-22 — — CN disclosed
CN-109963870-B anti-B7-H3 antibodies and antibody drug conjugates 艾伯维公司 2023-07-28 — — CN disclosed
CN-116478093-A Molecular probe for targeting interferon gene stimulus factor, labeling method and application 厦门大学 2023-07-25 — — CN disclosed
CN-116284404-A anti-B7-H3 antibodies and antibody drug conjugates 艾伯维公司 2023-06-23 — — CN disclosed
CN-116173232-A anti-CD 98 antibodies and antibody drug conjugates 艾伯维公司 2023-05-30 — — CN disclosed
CN-116059201-A anti-EGFR antibody drug conjugates 艾伯维公司 2023-05-05 — — CN disclosed
CN-116059202-A anti-EGFR antibody drug conjugates 艾伯维公司 2023-05-05 — — CN disclosed
CN-116059394-A anti-EGFR antibody drug conjugates 艾伯维公司 2023-05-05 — — CN disclosed
US-20230056135-A1 MONOMER AND MULTIMERIC ANTI-HBV AGENTS EMORY UNIVERSITY (US) 2023-02-23 — — US disclosed
CN-109562170-B anti-CD 98 antibodies and antibody drug conjugates 艾伯维公司(US) 2023-01-13 — — CN disclosed
EP-3860991-A1 MONOMER AND MULTIMERIC ANTI-HBV AGENTS Emory University (US) 2021-08-11 — — EP disclosed
CN-113209306-A Antibody drug conjugates with cell permeable BCL-XL inhibitors 艾伯维公司 2021-08-06 — — CN disclosed
CN-111620862-A BCL-XL-inhibitory compounds and antibody drug conjugates including the same 艾伯维公司 2020-09-04 — — CN disclosed
CN-111620861-A BCL-XL inhibitory compound having low cell permeability and antibody drug conjugate including the same 艾伯维公司 2020-09-04 — — CN disclosed
WO-2020072955-A1 MONOMER AND MULTIMERIC ANTI-HBV AGENTS EMORY UNIVERSITY (US) 2020-04-09 — — 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 (1 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-20230056135-A1 MONOMER AND MULTIMERIC ANTI-HBV AGENTS HAVCR2, HMBS, HDGF MAPK1 2189/4885HSD17B10 1720/4885L3MBTL1 2205/4885

“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.

Send feedback