SCHEMBL22253695

SCHEMBL22253695

O=CC1(COC(=O)c2ccccc2)CCCc2c1ccc(Cl)c2F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ PRKCE Q02156 1/20 0.31
▸ RASGRP3 Q8IV61 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ATM Q13315 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
SCHEMBL22254481 0.89 TDP1 (0.30) TDP1
SCHEMBL22253607 0.82 CHRNB2 (0.34) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL21930213 0.80 SIGMAR1 (0.42) TDP1KMT2AMAPK1ALDH1A1L3MBTL1
SCHEMBL21930565 0.80 SIGMAR1 (0.42) TDP1KMT2AMAPK1ALDH1A1L3MBTL1
SCHEMBL26731620 0.74 SIGMAR1 (0.41) TDP1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL22253652 0.70 LMNA (0.34) TDP1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL17542332 0.69 KDM1A (0.37) TDP1GAAPRKCAPRKCERASGRP3
SCHEMBL26194440 0.69 SMN1; SMN2 (0.39) TDP1KMT2AALDH1A1KDM4EGAA
SCHEMBL17542330 0.69 KDM1A (0.37) TDP1GAAPRKCAPRKCERASGRP3
SCHEMBL23109724 0.68 EED (0.34) HIF1A

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
EP-3781574-B1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS ASCENTAGE PHARMA SUZHOU CO LTD (CN) 2023-05-10 — — EP disclosed
EP-3781574-B1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS ASCENTAGE PHARMA SUZHOU CO LTD (CN) 2023-05-10 — — EP disclosed
US-11498928-B2 Macrocyclic spiroethers as Mcl-1 inhibitors ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2022-11-15 — — US disclosed
US-20210340158-A1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS ASCENTAGE PHARMA GROUP CORP LIMITED (CN) 2021-11-04 — — US disclosed
US-20210340158-A1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS ASCENTAGE PHARMA GROUP CORP LIMITED (CN) 2021-11-04 — — US disclosed
CN-112867722-A MACROCYCLIC SPIROETHERS (MACROCYCLIC SPIROETHERS) as MCL-1 inhibitors 苏州亚盛药业有限公司 2021-05-28 — — CN disclosed
WO-2020147802-A1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2020-07-23 — — 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 (2 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-11498928-B2 Macrocyclic spiroethers as Mcl-1 inhibitors MCL1, BCL9, BCL9L TDP1 3388/4885KMT2A 891/4885MAPK1 1235/4885
US-20210340158-A1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS MCL1, BCL9, BCL9L TDP1 3388/4885KMT2A 891/4885MAPK1 1235/4885

“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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