Sugi Predict

Sugi Predict / Compounds / SCHEMBL2240772

SCHEMBL2240772

SCHEMBL2240772

O=[N+]([O-])c1ccc(CC(CO)CO)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.58
▸ LMNA P02545 1/20 0.56
▸ LOXL2 Q9Y4K0 1/20 0.52
▸ CYP2C19 P33261 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ IDO1 P14902 4/20 0.47
▸ AKR1C3 P42330 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ DPP4 P27487 1/20 0.44
▸ DPP7 Q9UHL4 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 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
SCHEMBL8186292 0.83 TSHR (0.56) TSHRLMNALOXL2CYP2C19ALDH1A1
SCHEMBL334475 0.83 TSHR (0.56) TSHRLMNALOXL2CYP2C19ALDH1A1
SCHEMBL1176909 0.83 TSHR (0.56) TSHRLMNALOXL2CYP2C19ALDH1A1
SCHEMBL10316918 0.83 ACHE (0.51) TSHRLMNAALDH1A1POLBMEN1
SCHEMBL9969480 0.81 TSHR (0.55) TSHRLMNALOXL2CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL4360113 0.81 TSHR (0.55) TSHRLMNALOXL2CYP2C19ALDH1A1
SCHEMBL18118460 0.81 TSHR (0.55) TSHRLMNALOXL2CYP2C19ALDH1A1
SCHEMBL22408751 0.81 TSHR (0.55) TSHRLMNALOXL2CYP2C19ALDH1A1
SCHEMBL19938068 0.81 TSHR (0.55) TSHRLMNALOXL2CYP2C19ALDH1A1
SCHEMBL6889395 0.81 LOXL2 (0.62) TSHRLMNALOXL2CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220143229-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-12 — — US disclosed
US-20220143229-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-12 — — US disclosed
US-11260136-B2 Radio-pharmaceutical complexes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-03-01 — — US disclosed
US-20210322583-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2021-10-21 — — US disclosed
US-20210322583-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2021-10-21 — — US disclosed
CN-107278155-B Radiopharmaceutical complexes 拜耳有限公司 2021-03-30 — — CN disclosed
US-10682430-B2 Alpha-emitting complexes BAYER AS (NO) 2020-06-16 — — US disclosed
EP-3417883-B1 TARGETED ALPHA-PARTICLE EMITTING COMPLEXES COMPRISING THORIUM RADIONUCLIDE AND HYDROXYPYRIDINONE CONTAINING LIGAND BAYER AS (NO) 2020-03-25 — — EP disclosed
US-20190298865-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-03 — — US disclosed
US-20190298865-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-03 — — US disclosed
US-20130183235-A1 ALPHA-EMITTING COMPLEXES ALGETA ASA (NO) 2013-07-18 — — US disclosed
US-20130183235-A1 ALPHA-EMITTING COMPLEXES ALGETA ASA (NO) 2013-07-18 — — US disclosed
EP-2533817-A2 ALPHA-EMITTING COMPLEXES Algeta ASA (NO) 2012-12-19 — — EP disclosed
US-20120219495-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2012-08-30 — — US disclosed
US-20120219495-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2012-08-30 — — US disclosed
US-20120219495-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2012-08-30 — — US disclosed
EP-2476683-A2 NOVEL TETRA-AZA MACROCYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF Kyungpook National University Industry- Academic Cooperation Foundation (KR) 2012-07-18 — — EP disclosed
EP-2476683-A2 NOVEL TETRA-AZA MACROCYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF Kyungpook National University Industry- Academic Cooperation Foundation (KR) 2012-07-18 — — EP disclosed
WO-2011098611-A2 ALPHA-EMITTING COMPLEXES ALGETA AS (NO) 2011-08-18 — — WO disclosed
WO-2011098611-A2 ALPHA-EMITTING COMPLEXES ALGETA AS (NO) 2011-08-18 — — 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 (7 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-20130183235-A1 ALPHA-EMITTING COMPLEXES TK1, KPNA1, HPRT1 TSHR 90/4885LMNA 1318/4885LOXL2 3512/4885
US-10682430-B2 Alpha-emitting complexes TK1, KPNA1, HPRT1 TSHR 90/4885LMNA 1318/4885LOXL2 3512/4885
US-20210322583-A1 RADIO-PHARMACEUTICAL COMPLEXES PTMS, THOP1, PHPT1 TSHR 16/4885LMNA 2795/4885LOXL2 2044/4885
US-20220143229-A1 RADIO-PHARMACEUTICAL COMPLEXES EGFR, MET, ERBB2 TSHR 35/4885LMNA 3405/4885LOXL2 1316/4885
US-11260136-B2 Radio-pharmaceutical complexes EGFR, MET, ERBB2 TSHR 33/4885LMNA 3372/4885LOXL2 1442/4885
US-20120219495-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF TBCA, NBAS, BMP2 TSHR 235/4885LMNA 1883/4885LOXL2 4173/4885
US-20190298865-A1 RADIO-PHARMACEUTICAL COMPLEXES FAP, PHPT1, DNPEP TSHR 304/4885LMNA 2131/4885LOXL2 659/4885

“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.