SCHEMBL3849335

SCHEMBL3849335

C[C](C)C(=O)OC(=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
PRKCA P17252 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
SCHEMBL3122471 0.83 ELANE (0.33) ELANEALDH1A1TSHRPRKCA
SCHEMBL493095 0.79 ALDH1A1 (0.46) ELANEALDH1A1TSHR
SCHEMBL65267 0.78 ELANE (0.40) ELANEALDH1A1TSHRPRKCA
SCHEMBL1725969 0.78 ELANE (0.33) ELANEPRKCA
SCHEMBL11876913 0.78 ELANE (0.33) ELANEALDH1A1TSHRPRKCA
SCHEMBL30467555 0.77 PRKCA (0.31) ELANEPRKCA
SCHEMBL4316110 0.77 ALDH1A1 (0.53) ELANEALDH1A1TSHRPRKCA
SCHEMBL214755 0.77 ALDH1A1 (0.53) ELANEALDH1A1TSHRPRKCA
SCHEMBL5151400 0.76 ELANE (0.32) ELANE
SCHEMBL5451160 0.76 ELANE (0.32) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2080765-A1 Phosphonocephem Derivates, Their Production And Use Takeda Pharmaceutical Company Limited (JP) 2009-07-22 EP disclosed
EP-1043327-B1 PHOSPHONOCEPHEM DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME, AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-04-29 EP disclosed
US-6417175-B1 Phosphonocephem derivatives, process for the preparation of the same, and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
EP-1043327-A1 PHOSPHONOCEPHEM DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME, AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-11 EP disclosed
US-5948774-A EXCELLENT ANTIBACTERIAL ACTIVITIES ON A BROAD RANGE OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA, ESPECIALLY STAPHYLOCOCCUS AUREUS AND METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS (MRSA) TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-07 US disclosed
EP-0828744-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-03-18 EP disclosed
WO-1996038451-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-05 WO disclosed
EP-0733055-A1 2-SPIRO(2'-SPIROCYCLOALKYL)CYCLOPROPYL CEPHALOSPORIN SULFONES AS ANTIINFLAMMATORY AND ANTIDEGENERATIVE AGENTS SYNPHAR LABORATORIES INC. (CA) 1996-09-25 EP disclosed
WO-1996023798-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-08 WO disclosed
US-5439904-A Enzyme inhibitors of human leukocyte elastase; respiratory system disorders; antiarthritic agents SYNPHAR LABORATORIES, INC. (CA) 1995-08-08 US disclosed
EP-0228061-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1987-07-08 EP disclosed
EP-0225634-A2 Antibacterial compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-06-16 EP disclosed
US-4665065-A 3-pyrazolo(1,5-aαpyridinium cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US disclosed
EP-0216385-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1987-04-01 EP disclosed
EP-0203271-A2 Antibacterial compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-12-03 EP disclosed
WO-1986005183-A1 ANTIBACTERIAL COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-09-12 WO disclosed
EP-0164113-A2 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0160969-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-13 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed