Sugi Predict

Sugi Predict / Compounds / SCHEMBL8912403

SCHEMBL8912403

SCHEMBL8912403

O=S(=O)(NF)C(F)(F)F.[LiH]

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA7 P43166 1/20 0.37
▸ CA13 Q8N1Q1 1/20 0.37
▸ EPHX1 P07099 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ PTPN11 Q06124 1/20 0.32
▸ MAPK1 P28482 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL4948382 0.97 — —
SCHEMBL5158756 0.78 CA1 (0.41) CA2CA1CA7CA13
SCHEMBL2290498 0.76 CA2 (0.53) CA2CA1CA7CA13EPHX1
SCHEMBL414807 0.76 CA2 (0.53) CA2CA1CA7CA13EPHX1
Lithium SCHEMBL29459156 0.75 CA1 (0.39) CA2CA1CA7CA13
Fluoride SCHEMBL22801398 0.73 CA2 (0.50) CA2CA1CA7CA13EPHX1
SCHEMBL4765339 0.73 CA1 (0.38) CA2CA1CA7CA13
SCHEMBL28511453 0.72 CA2 (0.56) CA2CA1CA7CA13EPHX1
SCHEMBL4457449 0.72 CA2 (0.56) CA2CA1CA7CA13EPHX1
SCHEMBL37874 0.72 CA2 (0.56) CA2CA1CA7CA13EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599643-A Lithium electrochemical cell including lithium copper oxide in the cathode THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1997-02-04 — — US disclosed