Potassium Ion

Potassium Ion

SCHEMBL1722364

CCCCC[N]S(=O)(=O)c1ccc(C)cc1.[K+].[NaH]

nearest known ligand 0.53

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Known targets — ChEMBL curated mechanism

AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA

The experimentally established mechanism targets of Potassium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 7/20 0.47
MCHR1 Q99705 1/20 0.45
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
ALB P02768 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.39
G6PD P11413 1/20 0.39

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
SCHEMBL8382516 0.95 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MCHR1F2PRSS1
SCHEMBL8789808 0.84 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1F2PRSS1PRSS2
SCHEMBL8792482 0.81 TDP1 (0.47) SMN1; SMN2ALDH1A1LMNAHTTTSHR
SCHEMBL9775628 0.80 GAA (0.46) SMN1; SMN2ALDH1A1F2PRSS1PRSS2
SCHEMBL8789462 0.79 F2 (0.49) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL5886057 0.76 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1F2PRSS1PRSS2
SCHEMBL3234699 0.75 TDP1 (0.49) SMN1; SMN2ALDH1A1LMNANPSR1HTT
SCHEMBL9078382 0.73 TSHR (0.55) LMNARECQLGAATSHR
SCHEMBL6153961 0.72 L3MBTL1 (0.50) SMN1; SMN2ALDH1A1F2PRSS1PRSS2
Hexane SCHEMBL11658743 0.71 MCHR1 (0.53) SMN1; SMN2ALDH1A1MCHR1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344515-B9 METHOD AND INTERMEDIATES FOR PREPARING 2-ALKOXY AND 2-ARYLOXY ESTROGEN COMPOUNDS NAXOSPHARMA S R L (IT) 2013-06-26 EP disclosed
EP-2344515-B1 METHOD AND INTERMEDIATES FOR PREPARING 2-ALKOXY AND 2-ARYLOXY ESTROGEN COMPOUNDS NAXOSPHARMA S R L (IT) 2013-02-13 EP disclosed
EP-2344515-A1 METHOD AND INTERMEDIATES FOR PREPARING 2-ALKOXY AND 2-ARYLOXY ESTROGEN COMPOUNDS Naxospharma S.R.L. (IT) 2011-07-20 EP disclosed
US-20110130581-A1 Method and intermediates for preparing 2-alkoxy and 2-aryloxy estrogen compounds NAXOSPHARMA S.R.L. 2011-06-02 US disclosed
US-7901904-B2 Method and intermediates for preparing 2-alkoxy and 2-aryloxy estrogen compounds NAXOSPHARMA S.R.L. (IT) 2011-03-08 US disclosed
US-20100099141-A1 Method and intermediates for preparing 2-alkoxy and 2-aryloxy estrogen compounds NAXOSPHARMA S.R.L. 2010-04-22 US disclosed
WO-2010043506-A1 METHOD AND INTERMEDIATES FOR PREPARING 2-ALKOXY AND 2-ARYLOXY ESTROGEN COMPOUNDS NAXOSPHARMA S.R.L. (IT) 2010-04-22 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-20110130581-A1 Method and intermediates for preparing 2-alkoxy and 2-aryloxy estrogen compounds CYP19A1, HSD17B11, ESR1 SMN1; SMN2 4708/4885ALDH1A1 257/4885MCHR1 1316/4885
US-20100099141-A1 Method and intermediates for preparing 2-alkoxy and 2-aryloxy estrogen compounds CYP19A1, HSD17B11, ESR1 SMN1; SMN2 4680/4885ALDH1A1 267/4885MCHR1 1143/4885

“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.