SCHEMBL4137259

SCHEMBL4137259

CN(CC1(C(=O)O)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.32
ASGR1 P07306 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30
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
SCHEMBL14809794 0.89 CTSD (0.37) ASGR1CTSDCTSLCTSBCTSS
SCHEMBL15116573 0.86 CYP4F2 (0.33) PDK2ASGR1HDAC6HDAC1HDAC2
SCHEMBL22113052 0.85 ASGR1 (0.32) ASGR1HDAC6HDAC1HDAC2FPR3
SCHEMBL16337389 0.83 CYP4F2 (0.37) ASGR1HDAC6HDAC1HDAC2FPR3
SCHEMBL15125117 0.83 ASGR1 (0.31) ASGR1HDAC6HDAC1HDAC2FPR3
SCHEMBL19080542 0.83 HDAC6 (0.32) HDAC6HDAC1HDAC2CYP4F2CYP4A11
SCHEMBL15113643 0.82 CTSL (0.31) PDK2ASGR1FPR3FPR2CTSL
SCHEMBL4144318 0.81 NFKB1 (0.37) HDAC6HDAC1HDAC2CYP4F2CYP4A11
SCHEMBL16058399 0.80 CA14 (0.33) HDAC6HDAC1HDAC2
SCHEMBL23699419 0.79 HTR2C (0.37) PDK2HTR2CSLC6A4CTSLCTSB

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 42 patents — showing the first 20. 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
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
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
WO-2020120576-A1 p38α AUTOPHOSPHORYLATION INHIBITORS FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2020-06-18 WO disclosed
WO-2020120576-A1 p38α AUTOPHOSPHORYLATION INHIBITORS FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2020-06-18 WO disclosed
WO-2013043580-A2 MODIFIED CREATINE COMPOUNDS GENCIA CORPORATION (US) 2013-03-28 WO disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B PDK2 267/4885ASGR1 3287/4885HDAC6 316/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B PDK2 372/4885ASGR1 3295/4885HDAC6 321/4885
US-20210238154-A1 OXADIAZOLE COMPOUNDS YAP1, TEAD2, TEAD3 PDK2 84/4885ASGR1 3933/4885HDAC6 294/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 PDK2 1159/4885ASGR1 1174/4885HDAC6 1685/4885
US-11661403-B2 Oxadiazole compounds YAP1, TEAD2, TEAD3 PDK2 84/4885ASGR1 3933/4885HDAC6 294/4885

“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.