SCHEMBL6851007

SCHEMBL6851007

CS(=O)(=O)OCc1c(F)c(F)c(COS(C)(=O)=O)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL780208 0.98 CA1 (0.39) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL15244128 0.80 FGFR4 (0.33) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL15244480 0.80 KDM4E (0.30) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL7186613 0.79 CA12 (0.37) CA12CA1CA2CA7CA9
SCHEMBL5174970 0.79 CA12 (0.34) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL778583 0.77 CA1 (0.41) MMP9CA12CA1CA2CA7
SCHEMBL776497 0.76 CA12 (0.38) CA12CA1CA2CA7CA9
SCHEMBL15725726 0.75
SCHEMBL15725738 0.75 PTGS2 (0.33) TSHRKDM4EALDH1A1LMNA
SCHEMBL16140144 0.75 CA1 (0.40) CA12CA1CA2CA7CA9

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
WO-2014125499-A1 IMPROVED AND COMMERCIALLY VIABLE PROCESS FOR THE PREPARATION OF HIGH PURE PLERIXAFOR BASE NATCO PHARMA LIMITED (IN) 2014-08-21 WO disclosed
WO-2014125499-A1 IMPROVED AND COMMERCIALLY VIABLE PROCESS FOR THE PREPARATION OF HIGH PURE PLERIXAFOR BASE NATCO PHARMA LIMITED (IN) 2014-08-21 WO disclosed
EP-0619813-B1 LINKED CYCLIC POLYAMINES WITH ACTIVITY AGAINST HIV ANORMED INC (CA) 2004-08-18 EP disclosed