SCHEMBL7606830

SCHEMBL7606830

CC(NP(=O)(O)Cc1ccccc1)(C(=O)O)c1ccsc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
NPC1 O15118 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
RECQL P46063 1/20 0.34
MMP1 P03956 2/20 0.34
MMP3 P08254 2/20 0.33
MMP13 P45452 2/20 0.33
MMP2 P08253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MMP8 P22894 1/20 0.33
MMP12 P39900 1/20 0.33
GRM5 P41594 1/20 0.33
MAPK1 P28482 1/20 0.33
MAP3K5 Q99683 1/20 0.33

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
SCHEMBL7606131 0.84 HPGD (0.33) RAB9ALMNAHPGDOPRM1OPRD1
SCHEMBL5054598 0.82 CYP3A4 (0.33) RAB9ALMNAHPGDOPRM1OPRD1
SCHEMBL7607456 0.82 CETP (0.32) HPGDOPRM1OPRD1OPRK1MMP1
SCHEMBL7605689 0.79 RAB9A (0.40) RAB9ALMNAHPGDCYP1A2CYP3A4
SCHEMBL7607525 0.78 MMP1 (0.37) HPGDMMP1MMP3MMP13MMP2
SCHEMBL7608049 0.78 MMP1 (0.40) RAB9ALMNAHPGDNPC1CYP1A2
SCHEMBL7604018 0.77 PTPN1 (0.48) RAB9ALMNANPC1
SCHEMBL7605208 0.76 ALDH1A1 (0.34) RAB9ALMNAHPGDMMP1MMP3
SCHEMBL7609429 0.76 FDPS (0.46) RAB9ALMNANPC1CYP1A2CYP3A4
SCHEMBL7606682 0.75 MMP1 (0.35) MMP1MMP3MMP13MMP2MMP8

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 18 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
EP-1044206-A1 PRODRUGS OF NAALADASE INHIBITORS Guildford Pharmaceuticals Inc. (US) 2000-10-18 EP disclosed
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 disclosed
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP disclosed
EP-0936914-A4 1999-08-25 EP disclosed
WO-1999033849-A1 PRODRUGS OF NAALADASE INHIBITORS GUILDFORD PHARMACEUTICALS INC. (US) 1999-07-08 WO disclosed
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 disclosed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed