SCHEMBL1105464

SCHEMBL1105464

CNC(=O)CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.34
CA14 Q9ULX7 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CACNA1G O43497 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
DGAT1 O75907 1/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSS P25774 2/20 0.32
CTSD P07339 1/20 0.32
PRSS1 P07477 1/20 0.31
TPSAB1 Q15661 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
APLNR P35414 1/20 0.31

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
SCHEMBL6526008 0.85 HDAC6 (0.34) HDAC6CA14HDAC1HDAC2CACNA1G
SCHEMBL4162171 0.83 HDAC6 (0.33) HDAC6CA14HDAC1HDAC2CACNA1G
SCHEMBL23975780 0.83 POLB (0.37) HDAC6CA14HDAC1HDAC2CACNA1G
SCHEMBL17832808 0.81 CA14 (0.36) HDAC6CA14HDAC1HDAC2DGAT1
SCHEMBL18618255 0.81 HDAC6 (0.33) HDAC6CA14HDAC1HDAC2DGAT1
SCHEMBL25718013 0.81 DGAT1 (0.34) HDAC6CA14HDAC1HDAC2DGAT1
SCHEMBL7174226 0.79 CA14 (0.34) HDAC6CA14HDAC1HDAC2DGAT1
SCHEMBL12355261 0.79 APLNR (0.34) HDAC6CA14HDAC1HDAC2PRSS1
SCHEMBL2589264 0.79 RECQL (0.46) HDAC6CA14HDAC1HDAC2DGAT1
SCHEMBL7023795 0.78 CA14 (0.39) HDAC6CA14HDAC1HDAC2CACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347032-A1 SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
CN-117813302-A Substituted tetrahydrofuran-2-carboxamides as sodium channel modulators 沃泰克斯药物股份有限公司 2024-04-02 CN disclosed
US-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF GFB (ABC), LLC 2023-06-29 US disclosed
WO-2022256702-A1 SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-12-08 WO disclosed
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 WO disclosed
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 WO disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 US disclosed
EP-2258365-B1 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2013-05-29 EP disclosed
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7384942-B2 3-(2,4-dichlorophenyl)-5-bromoyrazine-2-ylamine; inhibiting the formation of neurofibrillary tangles; neurodegenerative, brain disorders; treatment of Alzheimer's disease with one or more additional agents donepezil or tacrine; anticarcinogenic, antiischemic, antidiabetic; insulin resistance NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-06-10 US disclosed
US-7384942-B2 3-(2,4-dichlorophenyl)-5-bromoyrazine-2-ylamine; inhibiting the formation of neurofibrillary tangles; neurodegenerative, brain disorders; treatment of Alzheimer's disease with one or more additional agents donepezil or tacrine; anticarcinogenic, antiischemic, antidiabetic; insulin resistance NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-06-10 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-10-18 US disclosed
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-10-18 US disclosed
US-7250443-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2007-07-31 US disclosed
US-7250443-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2007-07-31 US 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 (3 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-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF PDXK, ATP6V1B1, REN HDAC6 1683/4885CA14 4200/4885HDAC1 3234/4885
US-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS HDAC6 660/4885CA14 3004/4885HDAC1 824/4885
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GSK3B, GSK3A, PYGB HDAC6 1183/4885CA14 3332/4885HDAC1 393/4885

“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.