SCHEMBL6847660

SCHEMBL6847660

Cc1ccc(S(=O)(=O)OC2C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 11/20 0.46
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 2/20 0.42
HSD11B1 P28845 1/20 0.42
MMP13 P45452 1/20 0.40
BCL2 P10415 2/20 0.40
BCL2L1 Q07817 2/20 0.40
UCHL1 P09936 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38

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
SCHEMBL2710062 1.00 MCL1 (0.46) MCL1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL4421755 1.00 MCL1 (0.46) MCL1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL7407670 1.00 MCL1 (0.46) MCL1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL14143865 1.00 MCL1 (0.46) MCL1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL20239088 1.00 MCL1 (0.46) MCL1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL13481726 0.91 MCL1 (0.44) MCL1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL1890321 0.91 MCL1 (0.44) MCL1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL3187965 0.91 MCL1 (0.44) MCL1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL30148070 0.91 MCL1 (0.44) MCL1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL11300131 0.91 MCL1 (0.46) MCL1HSD11B1UCHL1NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770741-B1 USEFUL IN TREATING CONDITIONS AND DISEASES OF A MAMMAL AND HUMAN IN WHICH AN EXCESS OF BRADYKININ OR RELATED KININS ARE PRODUCED OR INJECTED SUCH AS BY INSECT BITES SCIOS INC. 2004-08-03 US disclosed
US-6288036-B1 ANTIINFLAMMATORY, ANTIASTHMATIC, ANTIALLERGEN, AND ANALGESIC AGENTS; ARGININE-CONTAINING NONA- OR DECAPEPTIDES SCIOS INC. 2001-09-11 US disclosed
EP-0618810-B1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC (US) 2001-07-04 EP disclosed
EP-0618809-B1 BRADYKININ TYPE PEPTIDES SCIOS NOVA INC (US) 1998-08-19 EP disclosed
US-5543496-A NONAPEPTIDE; ANTIINFLAMMATORY AGENTS, ANALGESICS SCIOS NOVA INC. (US) 1996-08-06 US disclosed
US-5385889-A Substitution of L-proline at the 7-position of the peptide hormone with a D-configuration hydroxyproline ether or thioether converts agonist into antagonist SCIOS NOVA INC. (US) 1995-01-31 US disclosed
WO-1994019372-A1 CYCLIC BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC. (US) 1994-09-01 WO disclosed
WO-1992018156-A1 BRADYKININ ANTAGONIST PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 WO disclosed