SCHEMBL5676459

SCHEMBL5676459

COc1cc(CCNC(=O)OCc2ccccc2)ccc1NS(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 2/20 0.48
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46

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
SCHEMBL5673622 0.86 LMNA (0.48) KMT2AMEN1L3MBTL1HTTPLAAT3
SCHEMBL5676340 0.82 CA2 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5676337 0.79 KMT2A (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5676455 0.79 CA1 (0.59) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8107485 0.77 MTNR1A (0.65) ALDH1A1KMT2AMEN1L3MBTL1HTT
SCHEMBL5948008 0.77 CA1 (0.43) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL28982954 0.77 RAB9A (0.58) ALDH1A1L3MBTL1HTTSMN1; SMN2LMNA
SCHEMBL8737718 0.76 NPC1 (0.72) KMT2AMEN1L3MBTL1PLAAT3PLAAT5
SCHEMBL4187817 0.76 TRPV1 (0.55) ALDH1A1KMT2AMEN1L3MBTL1HTT
SCHEMBL102687 0.76 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1L3MBTL1PLAAT3

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
EP-1658265-A4 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME GRUENENTHAL GMBH (DE) 2006-11-29 EP disclosed
EP-1658265-A1 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Grünenthal GmbH (DE) 2006-05-24 EP disclosed
WO-2005003084-A1 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME GRUNENTHAL GMBH (DE) 2005-01-13 WO disclosed