SCHEMBL3285488

SCHEMBL3285488

C[S+](CC(=O)c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
GAA P10253 1/20 0.45
DPP4 P27487 1/20 0.45
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CES1 P23141 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B3 P37058 8/20 0.43
GSK3B P49841 2/20 0.41

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
SCHEMBL1128350 0.89 TDP1 (0.50) GAAMAPTRAB9AL3MBTL1TDP1
SCHEMBL30392819 0.86 KMT2A (0.58) CES2MAPTRAB9AL3MBTL1TDP1
SCHEMBL5666293 0.83 L3MBTL1 (0.44) MAPTRAB9AL3MBTL1TDP1LMNA
SCHEMBL1128516 0.80 KDM4E (0.44) CES2MAPTRAB9AL3MBTL1TDP1
SCHEMBL565176 0.75 MAPT (0.56) GAAMAPTRAB9AL3MBTL1TDP1
SCHEMBL686321 0.75 KMT2A (0.56) CES2GAAMAPTRAB9AL3MBTL1
Hydrochloric Acid SCHEMBL60929 0.74 KMT2A (0.54) GAAMAPTRAB9AL3MBTL1TDP1
Bromide SCHEMBL394250 0.74 KMT2A (0.54) GAAMAPTRAB9AL3MBTL1TDP1
SCHEMBL8757375 0.72 L3MBTL1 (0.38) CES2MAPTRAB9AL3MBTL1TDP1
SCHEMBL8398448 0.72 KMT2A (0.52) CES2GAAMAPTRAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1752463-B1 NOVEL FLUORINATED ALKYLFLUOROPHOSPHORIC ACID SALT OF ONIUM AND TRANSITION METAL COMPLEX SAN APRO LTD (JP) 2013-07-17 EP claimed
US-7709598-B2 Fluorinated alkyl fluorophoshoric acid salts of onium and transition metal complex SAN-APRO LIMITED (JP) 2010-05-04 US claimed
US-20070225458-A1 Novel Fluorinated Alkyl Fluorophosphoric Acid Salts of Onium and Ttransition Metal Complex SAN-APRO LIMITED (JP) 2007-09-27 US claimed
EP-1752463-A1 NOVEL FLUORINATED ALKYLFLUOROPHOSPHORIC ACID SALT OF ONIUM AND TRANSITION METAL COMPLEX San-Apro Limited (JP) 2007-02-14 EP claimed

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-20070225458-A1 Novel Fluorinated Alkyl Fluorophosphoric Acid Salts of Onium and Ttransition Metal Complex AS3MT, TTR, PFAS CES2 4463/4885GAA 2277/4885DPP4 4651/4885

“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.