SCHEMBL6671787

SCHEMBL6671787

CCCCCS(=O)(=O)CC(I)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.42
CES1 P23141 5/20 0.42
CES2 O00748 2/20 0.42
CA2 P00918 3/20 0.41
GCLC P48506 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL6906378 0.79 ACE2 (0.47) FAAHCES1CES2CA2GCLC
SCHEMBL9067216 0.78 NOS2 (0.54) FAAHCES1CES2CA2GCLC
Hydrochloric Acid SCHEMBL9359667 0.76 ACE2 (0.49) FAAHCES1CES2CA2GPR84
SCHEMBL6646261 0.76 NOS2 (0.53) FAAHCES1CES2CA2GCLC
SCHEMBL7364147 0.75 GCLC (0.53) FAAHCES1CES2CA2GCLC
SCHEMBL9324909 0.71 FAAH (0.50) FAAHCES1CES2CA2GPR84
SCHEMBL20448523 0.71 GPR84 (0.56) CA2GPR84FFAR1MAPT
Acetic Acid SCHEMBL9621822 0.71 CA2 (0.56) FAAHCES1CES2CA2GPR84
SCHEMBL1195000 0.70 FAAH (0.58) FAAHCES1CES2CA2GPR84
SCHEMBL17688537 0.70 GPR84 (0.59) CA2GPR84FFAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950059-B1 CYCLIC SULFONE DERIVATIVES PFIZER (US) 2004-08-04 EP disclosed
US-6077864-A USEFUL IN THE TREATMENT OF ARTHRITIS, CANCER, TISSUE ULCERATION, MACULAR DEGENERATION, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS PFIZER INC. (US) 2000-06-20 US disclosed
EP-0950059-A1 CYCLIC SULFONE DERIVATIVES PFIZER INC. (US) 1999-10-20 EP disclosed
US-5883131-A Cyclic sulfone derivatives PFIZER INC. (US) 1999-03-16 US disclosed
WO-1998030566-A1 CYCLIC SULFONE DERIVATIVES PFIZER INC. (US) 1998-07-16 WO disclosed
EP-0818442-A2 Cyclic sulphone derivatives as inhibitors of metalloproteinases and of the production of tumour necrosis factor PFIZER INC. (US) 1998-01-14 EP disclosed