SCHEMBL3410101

SCHEMBL3410101

O=S(=O)(O)N1CCC(F)(F)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
PIP4K2A P48426 1/20 0.31
NAMPT P43490 2/20 0.30

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
SCHEMBL4180779 0.79 CA1 (0.39) ALOX5APFEN1PIK3C3OPRM1OPRK1
SCHEMBL13929775 0.77 CYP2D6 (0.43)
SCHEMBL5828928 0.71 HSD11B1 (0.36) NAMPT
SCHEMBL24465579 0.70 L3MBTL1 (0.44) OPRM1OPRK1
SCHEMBL22941798 0.70 JAK2 (0.34) ALOX5APFEN1OPRM1OPRK1
SCHEMBL1025135 0.69 CA1 (0.48) ALOX5APFEN1
SCHEMBL31478123 0.67 CA1 (0.46) ALOX5APFEN1DPP4DPP7
SCHEMBL25356264 0.65 PKM (0.50) ALOX5APFEN1PIP4K2ANAMPT
SCHEMBL1746338 0.65
SCHEMBL346463 0.64 CYP2D6 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP claimed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A ALOX5AP 443/4885FEN1 4721/4885PIK3C3 4549/4885

“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.