SCHEMBL6045222

SCHEMBL6045222

O=C(O)CS(=O)(=O)c1cc(C(=O)O)nc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.47
TSHR P16473 2/20 0.47
HIF1A Q16665 1/20 0.47
MMP2 P08253 1/20 0.46
MMP7 P09237 1/20 0.46
MMP14 P50281 1/20 0.46
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FFAR1 O14842 2/20 0.35

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
SCHEMBL28042691 0.74 ALOX15 (0.52) ALOX15TSHRHIF1ALMNAKDM4E
SCHEMBL27898504 0.72 MMP2 (0.48) MMP2MMP7MMP14POLBFFAR1
SCHEMBL14534848 0.69 MMP2 (0.60) MMP2MMP7MMP14FFAR1
SCHEMBL270706 0.69 MMP2 (0.77) MMP2MMP7MMP14POLB
SCHEMBL10803103 0.68 MMP2 (0.63) TSHRMMP2MMP7MMP14FFAR1
SCHEMBL27336528 0.68 CA1 (0.53) MMP2MMP7MMP14LMNAL3MBTL1
SCHEMBL4591973 0.68 L3MBTL1 (0.50) MMP2MMP7MMP14LMNAL3MBTL1
SCHEMBL6553661 0.67 MMP2 (0.74) MMP2MMP7MMP14POLB
SCHEMBL6552246 0.67 MMP2 (0.74) MMP2MMP7MMP14POLB
SCHEMBL6552547 0.67 MMP2 (0.74) MMP2MMP7MMP14POLB

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
US-20060211040-A1 Crystal structure of chorismate synthase and uses thereof PANTHERIX LIMITED (GB) 2006-09-21 US disclosed
EP-1543118-A1 CRYSTAL STRUCTURE OF CHORISMATE SYNTHASE AND USES THEREOF Pantherix Ltd (GB) 2005-06-22 EP disclosed
WO-2004029239-A9 CRYSTAL STRUCTURE OF CHORISMATE SYNTHASE AND USES THEREOF PANTHERIX LTD (GB) 2004-06-24 WO disclosed
WO-2004029239-A1 CRYSTAL STRUCTURE OF CHORISMATE SYNTHASE AND USES THEREOF PANTHERIX LTD. (GB) 2004-04-08 WO disclosed