SCHEMBL14288809

SCHEMBL14288809

CN1C(=O)c2ccccc2[S+]([O-])c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.50
CES1 P23141 2/20 0.50
CASP3 P42574 1/20 0.43
DRD2 P14416 1/20 0.42
HTR6 P50406 1/20 0.42
RAB9A P51151 2/20 0.41
TRPA1 O75762 1/20 0.41
NPC1 O15118 1/20 0.41
MTOR P42345 1/20 0.41
EPHX2 P34913 2/20 0.40
LRRK2 Q5S007 1/20 0.39
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ERBB2 P04626 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL341222 0.81 MAOA (0.43) TTRCES1L3MBTL1CA12CA1
SCHEMBL17837184 0.80 NR1H2 (0.53) TTRDRD2NR1H2NR1H3MAPT
SCHEMBL16430890 0.80 NR1H2 (0.53) TTRDRD2NR1H2NR1H3MAPT
SCHEMBL16430440 0.79 NR1H2 (0.41) DRD2NR1H2NR1H3L3MBTL1KDM4E
SCHEMBL12142309 0.79 TDP1 (0.37) TTRCES1RAB9ANPC1MAPT
SCHEMBL17059929 0.77 CASP3 (0.36) TTRCES1CASP3DRD2HTR6
SCHEMBL17837188 0.75 DRD2 (0.60) DRD2RAB9AMAPTKDM4ELMNA
SCHEMBL16127516 0.75 TTR (0.75) TTRCES1CASP3DRD2HTR6
SCHEMBL16430870 0.72 DRD2 (0.62) DRD2MAPTALDH1A1HPGD
SCHEMBL12059596 0.71 TTR (0.69) TTRCES1CASP3DRD2HTR6

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-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-08-11 US disclosed
US-20080027038-A1 N-Acylated lipophilic amino acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-31 US disclosed
US-20080027038-A1 N-Acylated lipophilic amino acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-31 US disclosed
US-7279573-B2 Amide derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2007-10-09 US disclosed
US-7279573-B2 Amide derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2007-10-09 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-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 TTR 4416/4885CES1 460/4885CASP3 3283/4885
US-20080027038-A1 N-Acylated lipophilic amino acid derivatives GHRHR, NPPA, SSTR5 TTR 1697/4885CES1 758/4885CASP3 2026/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 TTR 4874/4885CES1 689/4885CASP3 2294/4885

“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.