SCHEMBL6001985

SCHEMBL6001985

CCOC(=O)Oc1cc2cc(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)ccc2n1CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.36
AKR1B1 P15121 4/20 0.36
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.33
PLA2G4A P47712 1/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AKR1B10 O60218 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
SCHEMBL6001797 0.91 CACNA1B (0.38) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL6001804 0.87 L3MBTL1 (0.34) PTGDR2AKR1B1PLA2G4AL3MBTL1
SCHEMBL6001962 0.84 POLB (0.48) ALDH1A1HPGDTSHRSMN1; SMN2POLB
SCHEMBL6002334 0.81 SMN1; SMN2 (0.39) PTGDR2AKR1B1ALDH1A1HPGDTSHR
SCHEMBL6002281 0.78 CCR2 (0.41) PLA2G4AL3MBTL1
SCHEMBL6002331 0.74 MEN1 (0.42) ALDH1A1TSHRSMN1; SMN2POLBLMNA
SCHEMBL6001840 0.72 CACNA1B (0.40) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6002268 0.68 MAPK1 (0.38) PTGDR2SMN1; SMN2L3MBTL1
SCHEMBL9239665 0.67 TDP1 (0.48) ALDH1A1HPGDTSHRLMNAL3MBTL1
SCHEMBL6002237 0.66 KDM4E (0.58) ALDH1A1HPGDSMN1; SMN2LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP claimed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP claimed