SCHEMBL20745563

SCHEMBL20745563

CC1(C)OB(c2cccc(CN3CCS(=O)(=O)CC3)c2)OC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
LIPG Q9Y5X9 2/20 0.49
LPL P06858 1/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
DHODH Q02127 1/20 0.38
LTA4H P09960 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 1/20 0.36
FAAH O00519 2/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
JAK1 P23458 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
SCHEMBL722120 0.86 LPL (0.52) LMNALIPGLPLNPC1SMN1; SMN2
SCHEMBL29640063 0.85 LPL (0.55) LIPGLPLALDH1A1CYP2C19SMN1; SMN2
SCHEMBL1356694 0.85 LPL (0.55) LIPGLPLALDH1A1CYP2C19SMN1; SMN2
SCHEMBL1641031 0.84 SMN1; SMN2 (0.54) LIPGLPLALDH1A1CYP2C19SMN1; SMN2
SCHEMBL217370 0.84 MEN1 (0.57) LMNALIPGLPLKMT2AMEN1
Hydrochloric Acid SCHEMBL2072274 0.83 SMN1; SMN2 (0.52) LIPGLPLALDH1A1CYP2C19SMN1; SMN2
SCHEMBL585841 0.83 NCF1 (0.54) LIPGLPLNPC1ALDH1A1SMN1; SMN2
SCHEMBL31341362 0.82 LPL (0.49) LMNALIPGLPLNPC1SMN1; SMN2
SCHEMBL5316635 0.82 LPL (0.51) LIPGLPLKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL15845597 0.82 NCF1 (0.52) LIPGLPLNPC1ALDH1A1SMN1; 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 7 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
CN-111818916-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2020-10-23 CN 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 LMNA 420/4885LIPG 3843/4885LPL 4440/4885
US-20200239494-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 LMNA 420/4885LIPG 3843/4885LPL 4440/4885
US-20250313572-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 LMNA 420/4885LIPG 3843/4885LPL 4440/4885
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 LMNA 420/4885LIPG 3843/4885LPL 4440/4885

“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.