SCHEMBL2156971

SCHEMBL2156971

Cc1cccc2c1C(=O)CCS2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
VHL P40337 1/20 0.39
ELOC Q15369 1/20 0.39
ELOB Q15370 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.33
BRD4 O60885 3/20 0.33
CREBBP Q92793 1/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GSK3B P49841 1/20 0.32

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
SCHEMBL29515103 1.00 KDM4E (0.39) KDM4EHTTVHLELOCELOB
SCHEMBL9404887 0.81 VHL (0.39) KDM4EHTTVHLELOCELOB
SCHEMBL23861131 0.78 MAOA (0.44) KDM4EHTTVHLELOCELOB
SCHEMBL8472833 0.78 VHL (0.46) KDM4EHTTVHLELOCELOB
SCHEMBL8822554 0.78 VHL (0.39) KDM4EHTTVHLELOCELOB
SCHEMBL29515304 0.77 ALDH1A1 (0.53) KDM4EHTTVHLELOCELOB
SCHEMBL23861125 0.77 ALDH1A1 (0.53) KDM4EHTTVHLELOCELOB
SCHEMBL8219509 0.74 KDM4E (0.41) KDM4EHTTVHLELOCELOB
SCHEMBL30880435 0.74 ALDH1A1 (0.40) KDM4EHTTVHLELOCELOB
SCHEMBL30880421 0.74 ALDH1A1 (0.40) KDM4EHTTVHLELOCELOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234962-A1 OXA-AZASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2023-07-27 US disclosed
US-20230234962-A1 OXA-AZASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2023-07-27 US disclosed
US-20230234962-A1 OXA-AZASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2023-07-27 US disclosed
EP-4190789-A1 OXA-AZASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-06-07 EP disclosed
EP-4190789-A1 OXA-AZASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-06-07 EP disclosed
WO-2022007924-A1 OXA-AZABICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2022-01-13 WO disclosed
WO-2019070742-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS SIDECAR THERAPEUTICS, INC. (US) 2019-04-11 WO disclosed
US-7973072-B2 Pain, eating disorders, neurodegenerative disorders, memory impairment; attention deficit syndrome, opioid tolerance, drug addiction; (4-oxothiochroman-3,3-diyl)bis(methylene)bis(3-(trifluoromethyl)benzoate for example GRUENENTHAL GMBH (DE) 2011-07-05 US disclosed
US-7973072-B2 Pain, eating disorders, neurodegenerative disorders, memory impairment; attention deficit syndrome, opioid tolerance, drug addiction; (4-oxothiochroman-3,3-diyl)bis(methylene)bis(3-(trifluoromethyl)benzoate for example GRUENENTHAL GMBH (DE) 2011-07-05 US disclosed
US-7973072-B2 Pain, eating disorders, neurodegenerative disorders, memory impairment; attention deficit syndrome, opioid tolerance, drug addiction; (4-oxothiochroman-3,3-diyl)bis(methylene)bis(3-(trifluoromethyl)benzoate for example GRUENENTHAL GMBH (DE) 2011-07-05 US disclosed
US-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production GRUENENTHAL GMBH (DE) 2008-07-03 US disclosed
US-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production GRUENENTHAL GMBH (DE) 2008-07-03 US disclosed
US-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production GRUENENTHAL GMBH (DE) 2008-07-03 US disclosed
EP-1888555-A2 SUBSTITUTED BENZO-CONDENSED CYCLOHEXANONE DERIVATIVES AND THE USE THEREOF FOR MEDICAMENT PRODUCTION Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006122771-A2 SUBSTITUTED BENZO-CONDENSED CYCLOHEXANONE DERIVATIVES AND THE USE THEREOF FOR MEDICAMENT PRODUCTION Grünenthal GmbH (DE) 2006-11-23 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-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production BCKDK, SYMPK, DHPS KDM4E 715/4885HTT 483/4885VHL 155/4885
US-20230234962-A1 OXA-AZASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF PIK3CD, PIK3CA, PIK3R5 KDM4E 3238/4885HTT 4290/4885VHL 1179/4885

“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.