SCHEMBL7609653

SCHEMBL7609653

CC(C(=O)O)c1cscc1P(=O)(O)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.36
PTGS1 P23219 3/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
ANPEP P15144 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN4 P29074 1/20 0.33
PTPN9 P43378 1/20 0.33
PTPN11 Q06124 1/20 0.33
FDPS P14324 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
SCHEMBL7609491 0.84 POLB (0.34) HPGDPTPN2PTPN1PTPN4PTPN9
SCHEMBL7611820 0.82 MMP1 (0.35) HPGDANPEPERAP2ALDH1A1
SCHEMBL8460361 0.78 MEN1 (0.38) PTGS2PTGS1MEN1CYP1A2KMT2A
SCHEMBL7609843 0.76 ALDH1A1 (0.38) MEN1KMT2AANPEPERAP2ALDH1A1
SCHEMBL7604589 0.76 ALOX15 (0.37) PTGS2MEN1CYP1A2KMT2AHPGD
SCHEMBL7610424 0.73 CTSG (0.43) PTGS2PTGS1PTPN2PTPN1PTPN4
SCHEMBL7604439 0.73 MAPT (0.36) MEN1CYP1A2KMT2AALDH1A1
SCHEMBL7609311 0.72 KMT2A (0.36) MEN1CYP1A2KMT2AHPGD
SCHEMBL7606831 0.68 PTGS1 (0.36) PTGS2PTGS1MEN1CYP1A2KMT2A
SCHEMBL7605209 0.68 PTGS1 (0.36) PTGS2PTGS1MEN1CYP1A2KMT2A

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 12 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
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-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-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP disclosed
EP-0936914-A4 1999-08-25 EP disclosed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP disclosed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed