SCHEMBL4332278

SCHEMBL4332278

CCOC(=O)CC(=O)Cc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
LMNA P02545 4/20 0.46
GLA P06280 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
VNN1 O95497 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
NLRP3 Q96P20 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL2485584 0.88 MAOB (0.58) MAOBLMNAGLANPC1MAPT
SCHEMBL13237150 0.86 VNN1 (0.47) MAOBKDM4EVNN1NPC1GAA
SCHEMBL11066194 0.86 NPC1 (0.46) MAOBLMNAGLAKDM4EALDH1A1
SCHEMBL16960161 0.86 MAOB (0.47) MAOBLMNAGLAKDM4EALDH1A1
SCHEMBL15964593 0.86 MAPT (0.45) MAOBLMNAGLAKDM4EVNN1
SCHEMBL6484929 0.85 KMT2A (0.51) ALDH1A1HPGDHSD17B10NPC1GAA
SCHEMBL5907225 0.84 GAA (0.45) MAOBLMNAKDM4EALDH1A1HPGD
SCHEMBL4137771 0.82 EGFR (0.47) GLAKDM4EALDH1A1HPGDMAPT
SCHEMBL4325061 0.82 EPHX2 (0.52) MAOBLMNAALDH1A1HPGDMAPT
SCHEMBL1624525 0.82 PPID (0.50) MAOBKDM4EALDH1A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-07-04 US disclosed
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-07-04 US disclosed
CN-112204036-B Macrocyclic fused pyrazoles as MCL-1 inhibitors 苏州亚盛药业有限公司 2022-12-27 CN disclosed
US-20220396587-A1 MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-12-15 US disclosed
CN-110036014-B Compound with AXL inhibitory activity and preparation and application thereof 中国科学院上海药物研究所 2021-09-07 CN disclosed
CN-110845520-B Macrocyclic indoles as MCL-1 inhibitors 苏州亚盛药业有限公司 2021-04-13 CN disclosed
CN-112204036-A Macrocyclic fused pyrazoles as MCL-1 inhibitors 苏州亚盛药业有限公司 2021-01-08 CN disclosed
WO-2020151738-A1 MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2020-07-30 WO disclosed
CN-110845520-A Macrocyclic indoles as MCL-1 inhibitors 苏州亚盛药业有限公司 2020-02-28 CN disclosed
WO-2018121228-A1 COMPOUND HAVING AXL INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2018-07-05 WO disclosed
EP-2810937-B1 PYRIDONE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-11-30 EP disclosed
US-8933103-B2 Pyridone derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-13 US disclosed
EP-2810937-A1 PYRIDONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-10 EP disclosed
US-20130281428-A1 Pyridone Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-10-24 US disclosed
WO-2009146696-A1 USE OF INDOLE-3-CARBOXYLIC ESTERS FOR INHIBITING MICROSOMAL PROSTAGLANDIN E2 SYNTHASE Universität Tübingen (DE) 2009-12-10 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-20130281428-A1 Pyridone Derivatives AXL, PDXK, TYRO3 MAOB 798/4885LMNA 3112/4885GLA 1604/4885
US-20220396587-A1 MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS MCL1, BCL2A1, BCL2L1 MAOB 2082/4885LMNA 367/4885GLA 2438/4885
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors MCL1, BCL2A1, BCL2L1 MAOB 527/4885LMNA 1646/4885GLA 3576/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS MAOB 4814/4885LMNA 2462/4885GLA 2087/4885

“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.