SCHEMBL5020591

SCHEMBL5020591

O=Cc1ccc(C(=O)NOC2CCCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.50
GSTP1 P09211 1/20 0.48
GSTM2 P28161 1/20 0.48
TGFBR1 P36897 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX2 P34913 2/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
PTPN1 P18031 1/20 0.37
KDM4E B2RXH2 2/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36

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
SCHEMBL21471527 0.85 GSTP1 (0.51) P2RX3GSTP1GSTM2TGFBR1MEN1
SCHEMBL23500769 0.85 MEN1 (0.54) P2RX3GSTP1GSTM2TGFBR1MEN1
SCHEMBL28409562 0.85 GSTP1 (0.51) P2RX3GSTP1GSTM2TGFBR1MEN1
SCHEMBL4082004 0.83 GSTP1 (0.49) P2RX3GSTP1GSTM2TGFBR1MEN1
SCHEMBL23500569 0.83 ALDH1A1 (0.51) P2RX3GSTP1GSTM2MEN1KMT2A
SCHEMBL4819507 0.82 TRPM8 (0.41) P2RX3TGFBR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL38654486 0.82 TRPM8 (0.41) P2RX3TGFBR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1350794 0.82 GSTP1 (0.48) P2RX3GSTP1GSTM2MEN1KMT2A
SCHEMBL25197301 0.81 P2RX3 (0.49) P2RX3GSTP1GSTM2TGFBR1MEN1
SCHEMBL5020588 0.81 P2RX3 (0.49) P2RX3GSTP1GSTM2TGFBR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848454-A Histone deacetylase 6 inhibitor and preparation method and application thereof 山东大学 2020-10-30 CN claimed
CN-111848454-B Histone deacetylase 6 inhibitor and preparation method and application thereof 山东大学 2021-05-07 CN disclosed
CN-111848454-A Histone deacetylase 6 inhibitor and preparation method and application thereof 山东大学 2020-10-30 CN disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 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 (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-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 P2RX3 3257/4885GSTP1 1856/4885GSTM2 2939/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 P2RX3 3257/4885GSTP1 1856/4885GSTM2 2939/4885

“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.