SCHEMBL544486

SCHEMBL544486

COC(=O)c1ccc(I)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.58
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ CA12 O43570 2/20 0.52
▸ CA7 P43166 2/20 0.52
▸ CA9 Q16790 2/20 0.52
▸ CA14 Q9ULX7 2/20 0.52
▸ XDH P47989 1/20 0.52
▸ ALDH1A1 P00352 6/20 0.47
▸ MAPT P10636 4/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 1/20 0.46

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
SCHEMBL21195630 0.85 NOTUM (0.54) NOTUMCA1CA2CA12CA7
SCHEMBL12151586 0.82 NOTUM (0.64) NOTUMCA1CA2CA12CA7
SCHEMBL550572 0.82 CA1 (0.57) NOTUMCA1CA2CA12CA7
SCHEMBL29550817 0.79 CA1 (0.69) NOTUMCA1CA2CA12CA7
SCHEMBL29732333 0.79 CA1 (0.69) CA1CA2CA12CA7CA9
SCHEMBL502520 0.79 NOTUM (0.60) NOTUMCA1CA2CA12CA7
SCHEMBL70233 0.79 KDM4E (0.62) NOTUMCA1CA2CA12CA7
SCHEMBL29976975 0.79 NOTUM (0.60) NOTUMCA1CA2CA12CA7
SCHEMBL1459771 0.79 TDP1 (0.53) NOTUMCA1CA2CA12CA7
SCHEMBL382159 0.79 CA1 (0.69) NOTUMCA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12485169-B2 Compounds Grey Wolf Therapeutics Limited (GB) 2025-12-02 — — US disclosed
CN-120025279-A Compounds capable of modulating endoplasmic reticulum aminopeptidase 1 格雷沃尔夫治疗有限公司 2025-05-23 — — CN disclosed
CN-119638644-A Phenothiazine sulfonamide compound or salt thereof, and preparation method and application thereof 郑州大学 2025-03-18 — — CN disclosed
CN-117903077-B Dihydrooxadiazinone compound and application thereof 上海超阳药业有限公司 2024-09-03 — — CN disclosed
CN-117903077-A Dihydrooxadiazinon compound and application thereof 上海超阳药业有限公司 2024-04-19 — — CN disclosed
US-20230064417-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2023-03-02 — — US disclosed
WO-2023016562-A1 POLYCYCLIC COMPOUND AND USE THEREOF 浙江同源康医药股份有限公司 2023-02-16 — — WO disclosed
WO-2022258040-A1 HETEROCYCLIC COMPOUND FOR TEAD INHIBITOR 武汉人福创新药物研发中心有限公司 2022-12-15 — — WO disclosed
WO-2022258040-A1 HETEROCYCLIC COMPOUND FOR TEAD INHIBITOR 武汉人福创新药物研发中心有限公司 2022-12-15 — — WO disclosed
CN-115466243-A Heterocyclic compounds for TEAD inhibitors 武汉人福创新药物研发中心有限公司 2022-12-13 — — CN disclosed
CN-101511789-A 5, 6-bisaryl-2-pyridine-carboxamide derivatives, their preparation and their use in therapy as urotensin II receptor antagonists SANOFI AVENTIS (FR) 2009-08-19 — — CN disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 — — WO disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 — — WO disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 — — US disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 — — US disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 — — US disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 — — WO disclosed
US-7141596-B2 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION (US) 2006-11-28 — — US disclosed
US-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION 2005-12-08 — — US disclosed
WO-2005035551-A2 INHIBITORS OF PROTEINS THAT BIND PHOSPHORYLATED MOLECULES INCYTE CORPORATION (US) 2005-04-21 — — 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-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 PTGER1, CYP3A5, SULT1E1 NOTUM 374/4885CA1 3705/4885CA2 2723/4885
US-20230064417-A1 COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, CBR3 NOTUM 3603/4885CA1 458/4885CA2 138/4885
US-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules PPP3CA, PPP5C, PPM1A NOTUM 2982/4885CA1 4373/4885CA2 3939/4885
US-12485169-B2 Compounds SLC10A1, VHL, CFTR NOTUM 2494/4885CA1 93/4885CA2 441/4885

“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.

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