SCHEMBL6570305

SCHEMBL6570305

CC(=O)NC(C)CCS(=O)(=O)[O-].CC(=O)NC(C)CCS(=O)(=O)[O-].[Mg+2]

nearest known ligand 0.37

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.34
MTNR1B P49286 6/20 0.34
ENPEP Q07075 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ACACB O00763 9/20 0.33
ACACA Q13085 5/20 0.33
TRPV1 Q8NER1 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
SCHEMBL6569599 0.96 MTNR1A (0.34) MTNR1AMTNR1BENPEPALDH1A1ACACB
SCHEMBL4761014 0.80 ENPEP (0.37) MTNR1AMTNR1BENPEPALDH1A1ACACB
SCHEMBL20149719 0.80 PLA2G2C (0.45) MTNR1AMTNR1BALDH1A1
SCHEMBL6570307 0.78 ENPEP (0.36) MTNR1AMTNR1BENPEPALDH1A1ACACB
SCHEMBL6569603 0.78 ENPEP (0.36) MTNR1AMTNR1BENPEPALDH1A1ACACB
SCHEMBL4760781 0.78 PLA2G2C (0.41) ENPEPACACB
SCHEMBL6570577 0.74 PLA2G2C (0.41) ENPEPACACB
SCHEMBL25094585 0.70 ACACB (0.31) MTNR1AMTNR1BACACB
SCHEMBL8435514 0.70
SCHEMBL13645890 0.70 TAS1R3 (0.47) MTNR1AMTNR1BALDH1A1ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051393-B1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS MERCK SANTE SAS (FR) 2003-10-01 EP claimed
US-6265437-B1 ALCOHOLISM LIPHA (FR) 2001-07-24 US claimed
EP-1056445-B1 ORALLY ADMINISTRABLE IMMEDIATE-RELEASE AND PROLONGED-RELEASE GALENIC FORM COMPRISING AN ABSORPTION-PROMOTING AGENT AND USE OF THIS ABSORPTION-PROMOTING AGENT MERCK PATENT GMBH (DE) 2004-06-02 EP disclosed
EP-1410791-A1 Orally administrable galenic form comprising metformine and an absorption-promoting agent MERCK PATENT GmbH (DE) 2004-04-21 EP disclosed
US-6514524-B1 Improved absorption of hydrophilic ingredients because of particular excipients; calcium 3-acetylamino-1-propane sulfonate (calcium acamprosate); polysorbates, fatty ethers or esters of PEG, polyglycolysed glycerides MERCK PATENTGESELLSCHAFT MIT (DE) 2003-02-04 US disclosed
US-6426087-B1 GALENIC FORMS; SUSTAINED RELEASE MERCK PATENT GESELLSCHAFT MIT (DE) 2002-07-30 US disclosed
US-6265437-B1 ALCOHOLISM LIPHA (FR) 2001-07-24 US disclosed