SCHEMBL2939877

SCHEMBL2939877

CCCCn1cc[n+](C)c1.O=S(=O)([O-])OCCCC(F)(F)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
HSP90AA1 P07900 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
APAF1 O14727 1/20 0.45
NPC1 O15118 1/20 0.45
PLA2G1B P04054 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
RECQL P46063 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
EPHX2 P34913 1/20 0.37
BLM P54132 1/20 0.37
FDPS P14324 14/20 0.33

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
SCHEMBL1416717 0.87 MAPK1 (0.55) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
Amylosulfuric Acid SCHEMBL5486551 0.86 MAPK1 (0.57) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL20185647 0.85 MAPK1 (0.60) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL51596 0.85 MAPK1 (0.60) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1416525 0.85 MAPK1 (0.60) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
Sulfuric Acid SCHEMBL2939879 0.84 MEN1 (0.49) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL4799143 0.83 MAPK1 (0.55) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL5488936 0.83 MEN1 (0.46) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1416736 0.82 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1416563 0.82 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100296226-A1 ELECTRIC DOUBLE LAYER CAPACITOR SHOWA DENKO K.K. (JP) 2010-11-25 US disclosed
US-20070219379-A1 Ionic Liquid and Process for Producing the Same KANEKA CORPORATION (JP) 2007-09-20 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-20070219379-A1 Ionic Liquid and Process for Producing the Same HCN4, HCN2, HCN3 MAPK1 1153/4885MEN1 3967/4885HSP90AA1 4174/4885

“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.