SCHEMBL5800841

SCHEMBL5800841

CCOC(=O)CN(CC(=O)O)Cc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.59
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
CNR1 P21554 6/20 0.41
GSTO1 P78417 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
MMP1 P03956 1/20 0.36
MMP13 P45452 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PARP1 P09874 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL1926633 0.96 CNR2 (0.64) CNR2PTPN2PTPN1CNR1GSTO1
SCHEMBL4937032 0.83 CNR2 (0.56) CNR2CNR1GSTO1MAPTKDM4E
SCHEMBL9585436 0.81 CNR2 (0.57) CNR2CNR1MAPTKDM4EGAA
SCHEMBL4934476 0.79 CNR2 (0.60) CNR2PTPN2PTPN1CNR1GSTO1
SCHEMBL1928315 0.78 CNR2 (0.54) CNR2CNR1MAPTKDM4EGAA
SCHEMBL1927755 0.78 CNR2 (0.68) CNR2CNR1MAPTKDM4EGAA
SCHEMBL1928240 0.77 CNR2 (0.75) CNR2CNR1MAPTKDM4EGAA
SCHEMBL2348536 0.75 CNR2 (1.00) CNR2CNR1GAAPTGS1PTGS2
SCHEMBL1929000 0.75 CNR2 (0.75) CNR2CNR1MAPTKDM4EGAA
SCHEMBL9630128 0.75 CNR2 (0.63) CNR2CNR1MAPTKDM4EGAA

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-1675836-A1 DERIVATIVES OF 4-PHENYLTHIAZOLES AND 4-PHENYLIMIDAZOLES AND THE USE THEREOF AS MEDICAMENTS FOR TREATING NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-07-05 EP claimed
WO-2005035510-A1 DERIVATIVES OF 4-PHENYLTHIAZOLES AND 4-PHENYLIMIDAZOLES AND THE USE THEREOF AS MEDICAMENTS FOR TREATING NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-04-21 WO claimed
EP-1675836-B1 DERIVATIVES OF 4-PHENYLTHIAZOLES AND THE USE THEREOF AS MEDICAMENTS FOR TREATING NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY IPSEN PHARMA (FR) 2016-04-13 EP disclosed
EP-1675836-A1 DERIVATIVES OF 4-PHENYLTHIAZOLES AND 4-PHENYLIMIDAZOLES AND THE USE THEREOF AS MEDICAMENTS FOR TREATING NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-07-05 EP disclosed
WO-2005035510-A1 DERIVATIVES OF 4-PHENYLTHIAZOLES AND 4-PHENYLIMIDAZOLES AND THE USE THEREOF AS MEDICAMENTS FOR TREATING NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-04-21 WO disclosed