SCHEMBL8587458

SCHEMBL8587458

Cc1ccsc1OP(O)(=S)CP(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.33
GAA P10253 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATM Q13315 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
SCHEMBL8589538 0.78 ALDH1A1 (0.31)
SCHEMBL8586122 0.78 PGK1 (0.32)
SCHEMBL9816654 0.78 SRC (0.38) GSK3BGAAHPGDSMN1; SMN2ATM
SCHEMBL11248883 0.75 GSK3B (0.33) GSK3B
SCHEMBL8588544 0.70 PGK1 (0.33)
SCHEMBL8589342 0.64 CYP2C19 (0.33) SMN1; SMN2
SCHEMBL8587465 0.63 PTPRC (0.30)
SCHEMBL10804734 0.62 HPGD (0.41) GSK3BGAAHPGDSMN1; SMN2
SCHEMBL8588512 0.62 ALOX5 (0.41) GSK3BGAAATM
SCHEMBL8587108 0.62 HDAC6 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594857-B1 METHANEDIPHOSPHONIC ACID DERIVATIVE, PRODUCTION THEREOF AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 1998-04-29 EP disclosed
US-5683992-A TREATMENT OF RHEUMATISM, BONE DISORDERS, ANTIINFLAMMATORY, SUPPRESSION OF INTERLEUKIN-1, ANTIOXIDANT, TREATMENT OF AUTOIMMUNE DISEASES TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
US-5527940-A SUPPRESSES INTERLEUKIN-1 AND BONE DESTRUCTION DURING OSTEOPOROSIS; ANTIINFLAMMATORY AGENTS TORAY INDUSTRIES, INC. (JP) 1996-06-18 US disclosed
EP-0594857-A1 METHANEDIPHOSPHONIC ACID DERIVATIVE, PRODUCTION THEREOF AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-05-04 EP disclosed