SCHEMBL20745074

SCHEMBL20745074

C[P]1(O)CCN(c2nccc(COS(C)(=O)=O)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 2/20 0.39
▸ CA12 O43570 7/20 0.34
▸ CA1 P00915 7/20 0.34
▸ CA2 P00918 7/20 0.34
▸ CA9 Q16790 7/20 0.34
▸ LMNA P02545 1/20 0.33
▸ NR1H2 P55055 1/20 0.32
▸ PANK3 Q9H999 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SMO Q99835 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ ACACB O00763 1/20 0.31

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
SCHEMBL20745072 0.89 AOC3 (0.37) AOC3CA12CA1CA2CA9
SCHEMBL22262698 0.84 AOC3 (0.39) AOC3CA12CA1CA2CA9
SCHEMBL20745766 0.83 CA12 (0.47) AOC3CA12CA1CA2CA9
SCHEMBL20745073 0.81 AOC3 (0.39) AOC3CA12CA1CA2CA9
SCHEMBL22262699 0.81 ACHE (0.46) AOC3CA12CA1CA2CA9
SCHEMBL20745832 0.78 ACACB (0.39) AOC3CA12CA1CA2CA9
SCHEMBL20745332 0.75 HCRTR2 (0.37) AOC3NR1H2
SCHEMBL31434277 0.75 NR1H2 (0.35) AOC3CA12CA1CA2CA9
SCHEMBL20745248 0.75 DYRK1A (0.42) AOC3CA12CA1CA2CA9
SCHEMBL30212325 0.75 ALDH1A1 (0.36) AOC3CA12CA1CA2CA9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313572-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2025-10-09 — — US disclosed
US-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2024-07-11 — — US disclosed
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2023-12-14 — — US disclosed
US-20200239494-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-07-30 — — US disclosed
EP-3668502-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 — — EP disclosed
WO-2019035927-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC. (US) 2019-02-21 — — 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-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 AOC3 3226/4885CA12 4282/4885CA1 4115/4885
US-20200239494-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 AOC3 3226/4885CA12 4282/4885CA1 4115/4885
US-20250313572-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 AOC3 3226/4885CA12 4282/4885CA1 4115/4885
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 AOC3 3226/4885CA12 4282/4885CA1 4115/4885

“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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