SCHEMBL16825071

SCHEMBL16825071

CN(CC(C)(C)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
GBA1 P04062 1/20 0.31
CTSD P07339 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30

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
SCHEMBL14443433 0.85 HDAC6 (0.38) HDAC6HDAC1HDAC2HTR2CSLC6A4
SCHEMBL12665879 0.84 HDAC6 (0.35) HDAC6HDAC1HDAC2HTR2CSLC6A4
SCHEMBL16846576 0.82 HDAC6 (0.34) HDAC6HDAC1HDAC2CA14CACNA1G
SCHEMBL14810373 0.81 ACLY (0.35) HDAC6HDAC1HDAC2HTR2CSLC6A4
SCHEMBL15511200 0.81 DGAT1 (0.44) HDAC6HDAC1HDAC2CA14CACNA1G
SCHEMBL26272379 0.78 ACLY (0.41) HDAC6HDAC1HDAC2L3MBTL1CA14
SCHEMBL16825069 0.78 CYP4F2 (0.41) HDAC6HDAC1HDAC2
SCHEMBL24876166 0.78 CA14 (0.39) HDAC6HDAC1HDAC2HTR2CSLC6A4
SCHEMBL15584545 0.78 HDAC6 (0.38) HDAC6HDAC1HDAC2HTR2CSLC6A4
SCHEMBL15085762 0.76 HDAC6 (0.40) HDAC6HDAC1HDAC2HTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661403-B2 Oxadiazole compounds VIVACE THERAPEUTICS, INC. (US) 2023-05-30 US disclosed
US-11661403-B2 Oxadiazole compounds VIVACE THERAPEUTICS, INC. (US) 2023-05-30 US disclosed
US-11661403-B2 Oxadiazole compounds VIVACE THERAPEUTICS, INC. (US) 2023-05-30 US disclosed
CN-113105475-B Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2022-09-09 CN disclosed
US-20210238154-A1 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. 2021-08-05 US disclosed
US-20210238154-A1 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. 2021-08-05 US disclosed
CN-113105475-A Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2021-07-13 CN disclosed
EP-3793551-A1 OXADIAZOLE COMPOUNDS Vivace Therapeutics, Inc. (US) 2021-03-24 EP disclosed
WO-2019222431-A9 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2020-10-22 WO disclosed
WO-2019222431-A9 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2020-10-22 WO disclosed
EP-3083597-B1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES AS CAV2.2 CALCIUM CHANNEL BLOCKERS GRUENENTHAL GMBH (DE) 2017-11-22 EP disclosed
US-9562036-B2 Fluoromethyl-substituted pyrrole carboxamides as CaV2.2 calcium channel blockers Grünenthal GmbH (DE) 2017-02-07 US disclosed
EP-3083612-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES AS CAV2.2 CALCIUM CHANNEL BLOCKERS Grünenthal GmbH (DE) 2016-10-26 EP disclosed
EP-3083597-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III Grünenthal GmbH (DE) 2016-10-26 EP disclosed
US-20160289186-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III GRUENENTHAL GMBH (DE) 2016-10-06 US disclosed
US-20160289214-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES AS CAV2.2 CALCIUM CHANNEL BLOCKERS Grünenthal GmbH (DE) 2016-10-06 US disclosed
WO-2015090603-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III Grünenthal GmbH (DE) 2015-06-25 WO disclosed
WO-2015090600-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES AS CAV2.2 CALCIUM CHANNEL BLOCKERS Grünenthal GmbH (DE) 2015-06-25 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-20160289186-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III TRPV1, CACNA1B, CACNA1I HDAC6 331/4885HDAC1 618/4885HDAC2 664/4885
US-20210238154-A1 OXADIAZOLE COMPOUNDS YAP1, TEAD2, TEAD3 HDAC6 294/4885HDAC1 203/4885HDAC2 620/4885
US-20160289214-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES AS CAV2.2 CALCIUM CHANNEL BLOCKERS CACNA1B, CACNG2, CACNA1G HDAC6 515/4885HDAC1 930/4885HDAC2 459/4885
US-11661403-B2 Oxadiazole compounds YAP1, TEAD2, TEAD3 HDAC6 294/4885HDAC1 203/4885HDAC2 620/4885

“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.