SCHEMBL7610491

SCHEMBL7610491

CCC(OP(=O)(O)Cc1ccccc1)(C(=O)O)c1ccsc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.35
FOLH1 Q04609 1/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
MCTS1 Q9ULC4 1/20 0.32
HPGD P15428 1/20 0.31
GPR52 Q9Y2T5 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
HIF1A Q16665 1/20 0.31
TSHR P16473 1/20 0.31
HDAC1 Q13547 1/20 0.31
MMP1 P03956 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
SCHEMBL7609232 0.91 CETP (0.36) CETPFOLH1HPGDGPR52ALDH1A1
SCHEMBL7605208 0.83 ALDH1A1 (0.34) CETPFOLH1SLC16A3SLC16A1MCTS1
SCHEMBL8423445 0.79 PGK1 (0.33) CETPFOLH1HPGDGAATSHR
SCHEMBL7611446 0.79 PTPN1 (0.45) CETPSMN1; SMN2GAA
SCHEMBL7614098 0.78 FDPS (0.43) ALDH1A1HIF1A
SCHEMBL5059999 0.77 FOLH1 (0.38) CETPFOLH1ALDH1A1MMP1
SCHEMBL7606682 0.75 MMP1 (0.35) CETPMMP1
SCHEMBL7611154 0.74 ACP3 (0.42) CETPHPGDALDH1A1
SCHEMBL7606131 0.74 HPGD (0.33) CETPHPGDGPR52ALDH1A1SMN1; SMN2
SCHEMBL7607525 0.73 MMP1 (0.37) HPGDSMN1; SMN2HIF1AMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002515040-A 2002-05-21 JP claimed
JP-2002514160-A 2002-05-14 JP claimed
JP-2002514184-A 2002-05-14 JP claimed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP claimed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP claimed
EP-0936914-A4 1999-08-25 EP claimed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP disclosed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed