Sugi Predict

Sugi Predict / Compounds / SCHEMBL1559901

SCHEMBL1559901

SCHEMBL1559901

COc1cc(B(O)OC(C)(C)C(C)(C)O)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HTT P42858 2/20 0.36
▸ APP P05067 4/20 0.36
▸ ADRA2B P18089 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ IDO1 P14902 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL19692162 0.86 CA2 (0.36) ALDH1A1CYP3A4TSHRPTGS1KMT2A
SCHEMBL15156934 0.84 TP53 (0.31) CYP3A4TDP1THRB
SCHEMBL22336 0.84 MAOB (0.43) ALDH1A1TDP1TSHRHTTMEN1
SCHEMBL486017 0.81 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1457940 0.81 CYP3A4 (0.35) ALDH1A1CYP3A4TSHRHSD17B10THRB
SCHEMBL1277500 0.81 ALDH1A1 (0.38) ALDH1A1CYP3A4TSHRAPPLMNA
SCHEMBL16337448 0.80 PDCD1 (0.39) TSHRHTTGAAMAPT
SCHEMBL18580455 0.80 ALDH1A1 (0.46) ALDH1A1TDP1TSHRL3MBTL1POLB
SCHEMBL473910 0.78 KDM4E (0.37) ALDH1A1TDP1HSD17B10HTTPOLB
SCHEMBL9894132 0.78 NR3C1 (0.47) ALDH1A1TSHRPTGS1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4634184-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING KINASES VIA UBIQUITIN PROTEOSOME PATHWAY Crossfire Oncology Holding B.V. (NL) 2025-10-22 — — EP disclosed
CN-113727972-B Novel hydrazone derivatives having terminal amine groups substituted with aryl or heteroaryl groups and use thereof 韩国科学技术研究院 2024-12-27 — — CN disclosed
EP-4448521-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS Crossfire Oncology Holding B.V. (NL) 2024-10-23 — — EP disclosed
WO-2024126617-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING KINASES VIA UBIQUITIN PROTEOSOME PATHWAY CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2024-06-20 — — WO disclosed
WO-2023110936-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 — — WO disclosed
WO-2023052406-A1 TREATMENT OF SUBJECTS SUFFERING FROM HAVING CHOLANGIOCARCINOMA NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V. (NL) 2023-04-06 — — WO disclosed
CN-113727972-A Novel hydrazone derivatives in which terminal amino group is substituted with aryl or heteroaryl group, and use thereof 韩国科学技术研究院 2021-11-30 — — CN disclosed
CN-107849050-B Compound (I) 爱丁堡大学董事会 2020-10-13 — — CN disclosed
US-RE48175-E1 Hydrophobically tagged small molecules as inducers of protein degradation DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-08-25 — — US disclosed
US-20180354954-A9 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-12-13 — — US disclosed
EP-2386554-A1 Compounds active at the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2011-11-16 — — EP disclosed
WO-2011095556-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2011-08-11 — — WO disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 — — US disclosed
EP-2303882-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2011-04-06 — — EP disclosed
EP-2233470-A1 Histamine H3 receptor antagonists High Point Pharmaceuticals, LLC (US) 2010-09-29 — — EP disclosed
US-20090312309-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2009-12-17 — — US disclosed
WO-2009150381-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-12-17 — — WO disclosed
US-20080269523-A1 Preparation of Aminoaryl and Aminoheteroaryl Boronic Acids and Derivatives Thereof ARCHIMICA GMBH (DE) 2008-10-30 — — US disclosed
EP-1902028-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS Novo Nordisk A/S (DK) 2008-03-26 — — EP disclosed
WO-2007003604-A2 HISTS1MINE H3 RECEPTOR ANTAGONISTS NOVO NORDISK A/S (DK) 2007-01-11 — — 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 (4 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-20080269523-A1 Preparation of Aminoaryl and Aminoheteroaryl Boronic Acids and Derivatives Thereof BCAT1, BCAT2, AADAT ALDH1A1 2520/4885CYP3A4 771/4885TDP1 3840/4885
US-20180354954-A9 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION MYC, TP53, MDM2 ALDH1A1 3166/4885CYP3A4 3790/4885TDP1 3642/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 ALDH1A1 4021/4885CYP3A4 4333/4885TDP1 4088/4885
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B ALDH1A1 451/4885CYP3A4 743/4885TDP1 4636/4885

“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.