SCHEMBL329653

SCHEMBL329653

COC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 4/20 0.53
HDAC8 Q9BY41 2/20 0.53
ESR2 Q92731 1/20 0.53
NR1H2 P55055 2/20 0.52
NAMPT P43490 6/20 0.49
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
ROCK2 O75116 1/20 0.44
MAPK1 P28482 1/20 0.43
PKM P14618 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
SCHEMBL30091911 1.00 HDAC1 (0.56) HDAC1HDAC6HDAC8ESR2NR1H2
SCHEMBL2277894 0.90 NR1H2 (0.67) HDAC1HDAC6HDAC8ESR2NR1H2
SCHEMBL30301758 0.90 ESR2 (0.69) HDAC1HDAC6HDAC8ESR2NR1H2
SCHEMBL3024823 0.90 ESR2 (0.69) HDAC1HDAC6HDAC8ESR2NR1H2
SCHEMBL29589913 0.90 NR1H2 (0.67) HDAC1HDAC6HDAC8ESR2NR1H2
SCHEMBL1263486 0.87 ESR2 (0.59) HDAC1HDAC6HDAC8ESR2NR1H2
SCHEMBL13112870 0.86 HDAC6 (0.51) HDAC1HDAC6HDAC8ESR2NR1H2
SCHEMBL20570373 0.86 HDAC1 (0.54) HDAC1HDAC6HDAC8ESR2NR1H2
SCHEMBL8280135 0.86 ESR2 (0.56) HDAC1HDAC6HDAC8ESR2NR1H2
SCHEMBL29835137 0.86 ESR2 (0.56) HDAC1HDAC6HDAC8ESR2NR1H2

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4441040-A1 INDOLINES AS PROTAC COMPOUNDS Neophore Limited (GB) 2024-10-09 EP disclosed
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 US disclosed
US-20230192677-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2023-06-22 US disclosed
US-20230192677-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2023-06-22 US disclosed
WO-2023094833-A1 INDOLINES AS PROTAC COMPOUNDS Neophore Limited (GB) 2023-06-01 WO disclosed
WO-2023002165-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2023-01-26 WO disclosed
WO-2023284651-A1 N-(2-AMINOPHENYL)BENZAMIDE COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 WO disclosed
EP-3390355-B1 BENZENESULFONYL-ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2022-12-28 EP disclosed
WO-2021229152-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2021-11-18 WO disclosed
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2021-02-16 US disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 WO disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
EP-1554243-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2005-07-20 EP disclosed
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 WO disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
WO-2004037788-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2004-05-06 WO disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP 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 (5 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-20230192677-A1 CYP11A1 INHIBITORS CYP11B1, CYP11B2, CYP17A1 HDAC1 802/4885HDAC6 1881/4885HDAC8 1793/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 HDAC1 1069/4885HDAC6 653/4885HDAC8 2157/4885
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 HDAC1 2/4885HDAC6 3/4885HDAC8 7/4885
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 HDAC1 2/4885HDAC6 3/4885HDAC8 7/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 HDAC1 965/4885HDAC6 1438/4885HDAC8 2111/4885

“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.