SCHEMBL443233

SCHEMBL443233

NC(=O)N1CC(NS(=O)(=O)c2cccc(F)c2)Cc2cc(C(=O)O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.52
HDAC6 Q9UBN7 2/20 0.52
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
KMT2A Q03164 2/20 0.40
DCK P27707 1/20 0.38
THRB P10828 1/20 0.38
CSNK2A1 P68400 1/20 0.38
MEN1 O00255 1/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL443508 0.89 HDAC8 (0.52) HDAC8HDAC6HRH2HRH1HTR1A
SCHEMBL447665 0.88 HDAC8 (0.54) HDAC8HDAC6KMT2AMEN1DRD2
SCHEMBL444884 0.86 HDAC8 (0.55) HDAC8HDAC6LMNA
SCHEMBL444812 0.83 HDAC8 (0.61) HDAC8HDAC6
SCHEMBL443678 0.82 HDAC8 (0.54) HDAC8DRD2ADRA1DADRA1AADRA1B
SCHEMBL444917 0.74 HDAC8 (0.52) HDAC8KMT2AMEN1LMNA
SCHEMBL444289 0.72 MEN1 (0.50) HDAC8KMT2AMEN1DRD2
SCHEMBL445402 0.72 HDAC8 (0.50) HDAC8KMT2AMEN1
SCHEMBL649320 0.72 FNTA (0.51) HDAC8HDAC6KMT2AMEN1ALDH1A1
SCHEMBL445526 0.71 CA12 (0.47) HDAC8HDAC6KMT2AMEN1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US claimed
EP-2613775-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP claimed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US claimed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO claimed
EP-2613775-B1 N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
EP-2613775-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER HNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRAS HDAC8 304/4885HDAC6 41/4885PSEN1 4790/4885

“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.