SCHEMBL9935920

SCHEMBL9935920

C=CCS(=O)(=O)[O-].CCCC[n+]1ccn(CC)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 16/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL9935843 0.91 SMN1; SMN2 (0.33) FDPSSMN1; SMN2MEN1HSP90AA1KMT2A
SCHEMBL9936382 0.91 FDPS (0.43) FDPSSMN1; SMN2MEN1HSP90AA1KMT2A
SCHEMBL9936156 0.88 FDPS (0.43) FDPSSMN1; SMN2MEN1HSP90AA1KMT2A
SCHEMBL9934785 0.88 FDPS (0.43) FDPSSMN1; SMN2MEN1HSP90AA1KMT2A
SCHEMBL9934576 0.87 FDPS (0.43) FDPSSMN1; SMN2MEN1HSP90AA1KMT2A
Sulfuric Acid SCHEMBL5169476 0.86 FDPS (0.42) FDPSSMN1; SMN2MEN1HSP90AA1KMT2A
SCHEMBL9934145 0.85 ALDH1A1 (0.33) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL9934327 0.85 FDPS (0.38) FDPS
SCHEMBL3187868 0.84 FDPS (0.41) FDPSSMN1; SMN2MEN1HSP90AA1KMT2A
Sulfuric Acid SCHEMBL5930927 0.84 FDPS (0.41) FDPSSMN1; SMN2MEN1HSP90AA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
EP-2474527-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION Wako Pure Chemical Industries, Ltd. (JP) 2012-07-11 EP disclosed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 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 (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-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION ATXN2L, ARL1, INPPL1 FDPS 4250/4885SMN1; SMN2 2527/4885MEN1 4362/4885

“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.