SCHEMBL5740920

SCHEMBL5740920

CC(=O)ON(C(c1cccc(C(F)(F)F)c1)C(C)(C)C)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
CES2 O00748 1/20 0.38
NPSR1 Q6W5P4 4/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
DDR1 Q08345 1/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
SLC6A4 P31645 2/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HTR6 P50406 1/20 0.35
RORC P51449 4/20 0.35
HDAC3 O15379 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL5740912 0.78 MAPT (0.39) MAPTADAMTS4MMP13CES2NPSR1
SCHEMBL4466382 0.69 MAPT (0.46) MAPTADAMTS4MMP13NPSR1HTT
SCHEMBL5259685 0.68 NPSR1 (0.43) MAPTADAMTS4MMP13CES2NPSR1
SCHEMBL1948599 0.65 KMT2A (0.71) MMP13SMN1; SMN2
SCHEMBL27762553 0.65 CES2 (0.49) CES2NPSR1HTTSMN1; SMN2LMNA
SCHEMBL5740916 0.65 MAPT (0.54) MAPTMMP13NPSR1HTTSMN1; SMN2
SCHEMBL3077103 0.63 CES2 (0.50) ADAMTS4MMP13CES2NPSR1HTT
SCHEMBL330908 0.63 CES2 (0.53) CES2NPSR1SMN1; SMN2
SCHEMBL3458826 0.62 CES2 (0.55) CES2NPSR1SMN1; SMN2
SCHEMBL27674749 0.62 CES2 (0.46) CES2NPSR1SMN1; SMN2GAA

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-1620422-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP disclosed
WO-2004099170-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO disclosed