SCHEMBL561353

SCHEMBL561353

CC(C)(C)Oc1ncc(B(O)O)c(OC(C)(C)C)n1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
NPSR1 Q6W5P4 2/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 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
Water SCHEMBL3423431 0.98 GAA (0.57) GAANPSR1ATMMEN1KMT2A
SCHEMBL19513827 0.82 GAA (0.39) GAANPSR1ATM
SCHEMBL29956161 0.81 GAA (0.38) GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL3299204 0.78 GAA (0.54) GAANPSR1ATMMEN1KMT2A
SCHEMBL14586465 0.76 GAA (0.65) GAANPSR1ATMMEN1KMT2A
SCHEMBL3817278 0.76 GAA (0.65) GAANPSR1ATMMEN1KMT2A
SCHEMBL13049649 0.76 GAA (0.65) GAANPSR1ATMMEN1KMT2A
SCHEMBL18380993 0.74 GAA (0.62) GAANPSR1ATMMEN1KMT2A
SCHEMBL896479 0.74 GAA (1.00) GAANPSR1ATMMEN1KMT2A
SCHEMBL28272374 0.73 GAA (0.43) GAANPSR1ATMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12102715-B1 ROS-responsive liposomes for specific targeting VERILY LIFE SCIENCES LLC (US) 2024-10-01 US claimed
US-11179335-B1 ROS-responsive liposomes for specific targeting VERILY LIFE SCIENCES LLC (US) 2021-11-23 US claimed
US-10517823-B1 ROS—responsive liposomes for specific targeting VERILY LIFE SCIENCES LLC (US) 2019-12-31 US claimed
EP-4702025-A1 BICYCLIC HETEROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2026-03-04 EP disclosed
US-20260055113-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2026-02-26 US disclosed
US-20260001884-A1 Heterocycle compounds for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2026-01-01 US disclosed
US-20250340565-A1 CD73 INHIBITOR COMPOUNDS ADORX THERAPEUTICS LTD (GB) 2025-11-06 US disclosed
US-20250270174-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2025-08-28 US disclosed
EP-4568965-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2025-06-18 EP disclosed
EP-4554679-A1 HETEROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2025-05-21 EP disclosed
EP-4547657-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. (US) 2025-05-07 EP disclosed
US-20060194811-A1 Pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-08-31 US disclosed
EP-1663973-A1 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2006-06-07 EP disclosed
EP-1620395-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2006-02-01 EP disclosed
EP-1595869-A1 PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-11-16 EP disclosed
WO-2005026123-A1 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2005-03-24 WO disclosed
WO-2004096763-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-11-11 WO disclosed
US-5576429-A HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRICIDE; ANTITUMOR AGENT MEDIVIR AB (SE) 1996-11-19 US disclosed
US-5440040-A Drug for Aids therapy; viricides MEDIVIR AB (SE) 1995-08-08 US disclosed
WO-1989012061-A1 PYRIMIDINE NUCLEOSIDES AND INTERMEDIATES MEDIVIR AB (SE) 1989-12-14 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 (5 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-20260001884-A1 Heterocycle compounds for the treatment of cancer ADORA1, ADORA2A, ADORA3 GAA 4076/4885NPSR1 599/4885ATM 1857/4885
US-20260055113-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF CANCER H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, CLIC1 GAA 2929/4885NPSR1 1686/4885ATM 3346/4885
US-20250340565-A1 CD73 INHIBITOR COMPOUNDS ENTPD5, ENTPD1, NT5E GAA 252/4885NPSR1 1497/4885ATM 2703/4885
US-20060194811-A1 Pyrimidine derivatives ADORA3, NR4A1, NR0B1 GAA 4620/4885NPSR1 21/4885ATM 2684/4885
US-20250270174-A1 CD73 COMPOUNDS ENTPD5, NT5E, ENTPD1 GAA 569/4885NPSR1 250/4885ATM 4088/4885

“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.