SCHEMBL17869

SCHEMBL17869

Cc1ccc(S(=O)(=O)OCC2(C(F)(F)F)CCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
ALDH1A1 P00352 5/20 0.37
STAT3 P40763 1/20 0.36
SCN9A Q15858 2/20 0.36
GAA P10253 1/20 0.35
RORC P51449 1/20 0.35
G6PD P11413 2/20 0.35
TRPA1 O75762 1/20 0.35
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
VDR P11473 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL17049 0.94 KMT2A (0.40) KMT2ASMN1; SMN2BCHEACHEALDH1A1
SCHEMBL29585185 0.84 ALDH1A1 (0.38) ALDH1A1CYP2C19CYP3A4CYP2C9POLB
SCHEMBL34473601 0.80 KMT2A (0.45) KMT2ASMN1; SMN2ALDH1A1STAT3GAA
SCHEMBL11637311 0.80 KMT2A (0.47) KMT2ASMN1; SMN2ALDH1A1STAT3GAA
SCHEMBL23364731 0.79 CA12 (0.38) KMT2ASMN1; SMN2BCHEACHEALDH1A1
SCHEMBL3598688 0.78 KMT2A (0.50) KMT2ASMN1; SMN2ALDH1A1STAT3GAA
SCHEMBL23210223 0.78 PARL (0.38) KMT2ASMN1; SMN2ALDH1A1SCN9AGAA
SCHEMBL29906344 0.78 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2ALDH1A1STAT3GAA
SCHEMBL22160068 0.77 KMT2A (0.49) KMT2ASMN1; SMN2ALDH1A1STAT3GAA
SCHEMBL15286533 0.77 KMT2A (0.45) KMT2ASMN1; SMN2ALDH1A1STAT3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080125-B1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-10-10 EP disclosed
US-9650379-B2 Azaindole derivatives as selective histone deacetylase (HDAC) inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-05-16 US disclosed
EP-3080125-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2016-10-19 EP disclosed
US-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-10-06 US disclosed
WO-2015087151-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-06-18 WO disclosed
WO-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed
WO-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed
US-20080275032-A1 Pyridazinone compounds ANADYS PHARMACEUTICALS, INC. 2008-11-06 US disclosed
US-20080275032-A1 Pyridazinone compounds ANADYS PHARMACEUTICALS, INC. 2008-11-06 US disclosed
US-20080275032-A1 Pyridazinone compounds ANADYS PHARMACEUTICALS, INC. 2008-11-06 US disclosed
WO-2008082725-A1 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-07-10 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-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC5, HDAC1, HDAC2 KMT2A 62/4885SMN1; SMN2 1596/4885BCHE 1038/4885
US-20080275032-A1 Pyridazinone compounds HAVCR2, PLPBP, CYP3A43 KMT2A 4376/4885SMN1; SMN2 4120/4885BCHE 1996/4885

“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.