SCHEMBL3919692

SCHEMBL3919692

CC(=O)OCCCCS(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
CA2 P00918 1/20 0.50
MAPT P10636 1/20 0.48
HSD11B1 P28845 3/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
PSIP1 O75475 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL12237322 0.88 CA2 (0.53) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL7239944 0.84 ALDH1A1 (0.59) CA2ALDH1A1LMNA
SCHEMBL7236115 0.81 CA2 (0.45) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL29323751 0.80 POLB (0.51) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL13638899 0.79 KEAP1 (0.50) CA2KEAP1NFE2L2ALDH1A1HPGD
SCHEMBL20503341 0.79 LMNA (0.60) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL576918 0.78 KEAP1 (0.63) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL3919977 0.78 ALDH1A1 (0.49) CA2TDP1ALDH1A1HPGDLMNA
SCHEMBL27658593 0.78 PSIP1 (0.52) MAPTHSD11B1PSIP1ALDH1A1L3MBTL1
SCHEMBL27933090 0.77 TDP1 (0.66) HDAC1HDAC2HDAC8HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 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 (1 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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC HDAC1 1813/4885HDAC2 1687/4885HDAC8 2654/4885

“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.