SCHEMBL2631178

SCHEMBL2631178

COC(=O)CCCCCNS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.69
PKM P14618 3/20 0.69
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
LMNA P02545 2/20 0.63
HDAC1 Q13547 3/20 0.57
HDAC3 O15379 2/20 0.57
TBXA2R P21731 1/20 0.54
HTT P42858 1/20 0.53
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
HDAC2 Q92769 1/20 0.50

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
SCHEMBL20522281 0.94 LMNA (0.71) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL19078974 0.87 ALDH1A1 (0.69) ALDH1A1PKMLMNAHTTCA12
SCHEMBL13223680 0.87 ALDH1A1 (0.69) ALDH1A1PKMLMNAHTTCA12
SCHEMBL31522337 0.86 ALDH1A1 (0.57) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL9871136 0.86 MEN1 (0.59) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL15797966 0.86 ALDH1A1 (0.65) ALDH1A1PKMLMNAHDAC1TBXA2R
SCHEMBL1403259 0.86 ALDH1A1 (0.73) ALDH1A1PKMLMNAHDAC1HDAC3
SCHEMBL31522327 0.86 ALDH1A1 (0.73) ALDH1A1PKMLMNAHDAC1HDAC3
SCHEMBL31522332 0.86 ALDH1A1 (0.73) ALDH1A1PKMLMNAHDAC1HDAC3
SCHEMBL9871596 0.84 LMNA (0.88) ALDH1A1PKMMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796664-B2 Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2017-10-24 US disclosed
EP-2330894-B1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORP (US) 2016-12-21 EP disclosed
US-20160122290-A1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION 2016-05-05 US disclosed
US-9265734-B2 Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2016-02-23 US disclosed
US-20120094971-A1 Compositions Including 6-Aminohexanoic Acid Derivatives As HDAC Inhibitors REPLIGEN CORPORATION (US) 2012-04-19 US disclosed
WO-2010028192-A1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 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 (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-20160122290-A1 COMPOSITIONS INCLUDING 6-AMINOHEXANOIC ACID DERIVATIVES AS HDAC INHIBITORS HDAC1, HDAC5, HDAC2 ALDH1A1 194/4885PKM 2101/4885MEN1 3987/4885
US-20120094971-A1 Compositions Including 6-Aminohexanoic Acid Derivatives As HDAC Inhibitors HDAC1, HDAC5, HDAC2 ALDH1A1 194/4885PKM 2101/4885MEN1 3987/4885

“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.