SCHEMBL7282131

SCHEMBL7282131

[CH2]SC(=O)N(SCC)SCC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL4184059 0.79 TSHR (0.36) TSHRMAPK1
SCHEMBL11294400 0.78 CES2 (0.35)
SCHEMBL4631571 0.73 ALDH1A1 (0.35) TSHRMAPK1
SCHEMBL7122582 0.70 ALDH1A1 (0.35) TSHRMAPK1
SCHEMBL5608381 0.70 FFAR3 (0.35) TSHRMAPK1
SCHEMBL9460838 0.70
Hydrochloric Acid SCHEMBL10822937 0.69 FFAR3 (0.33) TSHRMAPK1
SCHEMBL4557462 0.69 TSHR (0.32) TSHRMAPK1
SCHEMBL11393115 0.69
SCHEMBL10822936 0.69 ALDH1A1 (0.43) TSHRMAPK1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4343937-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1982-08-10 US claimed
US-4342869-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-08-03 US claimed
US-4342757-A Cephalosporin antibiotic compositions MERCK & CO., INC. (US) 1982-08-03 US claimed
US-4338437-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
US-4338438-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
US-4324890-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1982-04-13 US claimed
US-4297488-A 7-α-Methoxy cephalosporins MERCK & CO., INC. (US) 1981-10-27 US claimed
US-5364848-A Elastase inhibitors MERCK & CO., INC. (US) 1994-11-15 US disclosed
US-5264430-A Enzyme inhibitor, antiinflammatory agents, treats emphysema, cystic fibrosis and arthritis SYNPHAR LABORATORIES, INC. (CA) 1993-11-23 US disclosed
US-5264429-A Enzyme inhibitor, antiinflammatory agents, treats emphysema, cystic fibrosis and arthritis SYNPHAR LABORATORIES, INC. (CA) 1993-11-23 US disclosed
US-5132301-A Substituted cephalosporin sulfones as anti-inflammatory and anti-degenerative agents MERCK & CO., INC. (US) 1992-07-21 US disclosed
US-4891370-A ELASTASE INHIBITORS MERCK & CO., INC. (US) 1990-01-02 US disclosed
US-4845088-A ANTIINFLAMMATORY, ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1989-07-04 US disclosed
US-4338437-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US disclosed
US-4324890-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1982-04-13 US disclosed
US-4297488-A 7-α-Methoxy cephalosporins MERCK & CO., INC. (US) 1981-10-27 US disclosed
US-4296111-A 7-Substituted methyl cephalosporins derivatives and analogues thereof MERCK & CO. INC. (US) 1981-10-20 US disclosed
US-4150156-A ANTIBIOTICS MERCK & CO., INC. (US) 1979-04-17 US disclosed
US-4123528-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-10-31 US disclosed
US-4086423-A CEPHALOSPORINS, CYCLOADDITION OF GLYCINE DERIVATIVE TO THIAZINE COMPOUND MERCK & CO., INC. (US) 1978-04-25 US disclosed