SCHEMBL473910

SCHEMBL473910

COC(=O)c1ccc(B(O)OC(C)(C)C(C)(C)O)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 4/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
CHEK1 O14757 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3930744 0.89 KMT2A (0.34) ALDH1A1KMT2AMEN1NPC1
SCHEMBL17627595 0.85 CA1 (0.49) KDM4EGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL16278053 0.84 CFTR (0.36) KDM4EGAAMAPTRAB9ASMN1; SMN2
SCHEMBL19692162 0.82 CA2 (0.36) ALDH1A1CA12CA1CA2CA7
SCHEMBL1330625 0.82 ALDH1A1 (0.39) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL22336 0.79 MAOB (0.43) RAB9AALDH1A1HPGDCA2KMT2A
SCHEMBL9894132 0.79 NR3C1 (0.47) KDM4EGAAMAPTRAB9ASMN1; SMN2
SCHEMBL16346292 0.79 TNFSF11 (0.41) KDM4EGAAMAPTRAB9ASMN1; SMN2
SCHEMBL18580455 0.78 ALDH1A1 (0.46) KDM4ERAB9AALDH1A1HPGDLMNA
SCHEMBL189207 0.78 KDM4E (0.46) KDM4EGAAMAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12576055-B2 Disease detection and treatment based on trimethyl-lysine levels THE CLEVELAND CLINIC FOUNDATION (US) 2026-03-17 US disclosed
WO-2024243289-A2 GUT MICROBE DERIVED AROMATIC AMINO ACID METABOLITES FOR DETECTION AND TREATMENT OF DISEASE THE CLEVELAND CLINIC FOUNDATION (US) 2024-11-28 WO disclosed
CN-118201922-A Drak2 inhibitor and preparation method and application thereof 百极优棠(广东)医药科技有限公司 2024-06-14 CN disclosed
US-20240165131-A1 TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS THE CLEVELAND CLINIC FOUNDATION 2024-05-23 US disclosed
US-20240139120-A1 TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY THE CLEVELAND CLINIC FOUNDATION 2024-05-02 US disclosed
US-11911399-B2 Treating and preventing disease with TMA and TMAO lowering agents THE CLEVELAND CLINIC FOUNDATION (US) 2024-02-27 US disclosed
EP-4299064-A2 TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY THE CLEVELAND CLINIC FOUNDATION (US) 2024-01-03 EP disclosed
EP-3641748-B1 TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY CLEVELAND CLINIC FOUND (US) 2023-11-29 EP disclosed
US-11771659-B2 Treating disease and promoting weight loss by inhibiting the TMA/FMO3/TMAO pathway THE CLEVELAND CLINIC FOUNDATION (US) 2023-10-03 US disclosed
WO-2023083330-A1 DRAK2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 百极优棠(广东)医药科技有限公司 2023-05-19 WO disclosed
EP-2411365-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
WO-2010108903-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
US-20100249124-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
WO-2009003669-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-01-08 WO disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 US 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-11771659-B2 Treating disease and promoting weight loss by inhibiting the TMA/FMO3/TMAO pathway SLC5A2, SLC5A1, MAT1A KDM4E 2023/4885GAA 988/4885MAPT 2008/4885
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 KDM4E 1499/4885GAA 3203/4885MAPT 2644/4885
US-11911399-B2 Treating and preventing disease with TMA and TMAO lowering agents MAOB, DAO, ESD KDM4E 1290/4885GAA 1298/4885MAPT 2773/4885
US-20240139120-A1 TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY SLC5A2, SLC5A1, MAT1A KDM4E 2023/4885GAA 988/4885MAPT 2008/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP KDM4E 2789/4885GAA 3145/4885MAPT 1541/4885
US-20100249124-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R KDM4E 2537/4885GAA 3857/4885MAPT 4207/4885
US-12576055-B2 Disease detection and treatment based on trimethyl-lysine levels BHMT, BHMT2, EHMT2 KDM4E 270/4885GAA 3715/4885MAPT 3236/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP KDM4E 2789/4885GAA 3145/4885MAPT 1541/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP KDM4E 2789/4885GAA 3145/4885MAPT 1541/4885
US-20240165131-A1 TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS MAOB, DAO, ESD KDM4E 1290/4885GAA 1298/4885MAPT 2773/4885

“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.