SCHEMBL6002347

SCHEMBL6002347

O=S(=O)(N(n1ccc2ccccc21)S(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.40
HTT P42858 4/20 0.40
MEN1 O00255 2/20 0.40
HTR6 P50406 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
NOTUM Q6P988 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34

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
SCHEMBL7213024 0.71 DAO (0.50) ALDH1A1TSHR
SCHEMBL1460338 0.70 HTR6 (0.61) HTTMEN1HTR6KMT2AALDH1A1
SCHEMBL6624855 0.67 SLC6A2 (0.50) SLC6A2HTTMEN1HTR6KMT2A
SCHEMBL3365470 0.66 SLC6A2 (0.58) SLC6A2CDK4CCND1NOTUM
SCHEMBL24596834 0.63 HTR6 (0.61) HTTMEN1HTR6KMT2AALDH1A1
SCHEMBL6005012 0.63 SLC6A2 (0.50) SLC6A2HTTMEN1HTR6KMT2A
SCHEMBL6006493 0.63 SLC6A2 (0.50) SLC6A2ALDH1A1CDK4CCND1NOTUM
SCHEMBL31066760 0.62 CDK4 (0.45) HTTMEN1HTR6KMT2AALDH1A1
SCHEMBL8415487 0.62 HTR6 (0.66) HTTMEN1HTR6KMT2AALDH1A1
SCHEMBL30144 0.62 CDK4 (0.45) HTTMEN1HTR6KMT2AALDH1A1

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 5 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 disclosed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP disclosed
US-6596772-B1 Relates to trifluoromethyl sulfonyl and trifluoromethyl sulfonamido compounds and the physiologically acceptable salts and the prodrugs thereof. These compounds are expected to modulate the activity of protein tyrosine enzymes which are SUGEN, INC. 2003-07-22 US disclosed
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP disclosed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 WO disclosed