SCHEMBL2098741

SCHEMBL2098741

O=P(O)(O)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.51
FLT1 P17948 2/20 0.43
FLT4 P35916 2/20 0.43
KDR P35968 2/20 0.43
ACLY P53396 6/20 0.41
MMP2 P08253 3/20 0.40
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CCR1 P32246 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
MMP8 P22894 2/20 0.37
MEP1B Q16820 1/20 0.37
CA1 P00915 1/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL6910975 0.82 CA2 (0.60) FLT1FLT4KDRMMP2CA12
SCHEMBL6910976 0.78 KMT2A (0.49) FLT1FLT4KDRCA14CCR1
SCHEMBL2055334 0.76 FABP4 (0.42) FABP4FLT1FLT4KDRACLY
SCHEMBL197058 0.73 FABP4 (0.49) FABP4FLT1FLT4KDRACLY
SCHEMBL11764883 0.71 MMP2 (0.60) MMP2CA12CA2CA9CA14
SCHEMBL6849946 0.71 FABP4 (0.55) FABP4FLT1FLT4KDRACLY
SCHEMBL6904614 0.71 ALDH1A1 (0.56) MMP2CA2CA9MMP8MEP1B
SCHEMBL2055340 0.70 BCL2L1 (0.44) FABP4ACLYITGB1ITGA4
SCHEMBL21692821 0.69 EDNRB (0.49) FABP4FLT1FLT4KDRACLY
SCHEMBL2098095 0.69 FLT1 (0.41) FABP4FLT1FLT4KDRACLY

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
US-8163911-B2 Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
EP-2200987-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2010-06-30 EP disclosed
WO-2009030715-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-12 WO disclosed