Cefoxitin

Cefoxitin

SCHEMBL9489255

CO[C@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Cefoxitin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 4/20 1.00
PPARG P37231 1/20 1.00
TDP1 Q9NUW8 11/20 0.85
HSD17B10 Q99714 7/20 0.85
MAPT P10636 6/20 0.85
KDM4E B2RXH2 4/20 0.85
MEN1 O00255 3/20 0.85
KMT2A Q03164 3/20 0.85
POLB P06746 2/20 0.85
HPGD P15428 3/20 0.55
SLC22A6 Q4U2R8 2/20 0.55
SLC22A8 Q8TCC7 2/20 0.55
SLC22A11 Q9NSA0 2/20 0.55
DNMT1 P26358 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
LMNA P02545 4/20 0.46
CYP3A4 P08684 2/20 0.46
GLA P06280 1/20 0.46
APEX1 P27695 1/20 0.46
PKM P14618 1/20 0.46

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
Cefoxitin SCHEMBL20538862 1.00 NR1I2 (1.00) NR1I2PPARGTDP1HSD17B10MAPT
Cefoxitin SCHEMBL11223104 1.00 NR1I2 (1.00) NR1I2PPARGTDP1HSD17B10MAPT
Cefoxitin SCHEMBL9489250 1.00 NR1I2 (1.00) NR1I2PPARGTDP1HSD17B10MAPT
Cefoxitin SCHEMBL7766649 1.00 NR1I2 (1.00) NR1I2PPARGTDP1HSD17B10MAPT
Cefoxitin SCHEMBL13483263 1.00 NR1I2 (1.00) NR1I2PPARGTDP1HSD17B10MAPT
Cefoxitin SCHEMBL9489265 1.00 NR1I2 (1.00) NR1I2PPARGTDP1HSD17B10MAPT
Cefoxitin SCHEMBL15971 1.00 NR1I2 (1.00) NR1I2PPARGTDP1HSD17B10MAPT
Cefoxitin SCHEMBL3825166 1.00 NR1I2 (1.00) NR1I2PPARGTDP1HSD17B10MAPT
Cefoxitin SCHEMBL9489240 0.99 NR1I2 (0.98) NR1I2PPARGTDP1HSD17B10MAPT
Cefoxitin SCHEMBL41179 0.99 NR1I2 (0.98) NR1I2PPARGTDP1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5189157-A ANTIBACTERIAL CEPHALOSPORIN COMPOUNDS HOFFMANN LA ROCHE INC. (US) 1993-02-23 US disclosed
EP-0083032-B1 RECTALLY ADMINISTRABLE SUPPOSITORY COMPRISING A DRUG AND AN ADJUVANT MERCK & CO. INC. (US) 1989-09-20 EP disclosed
US-4470980-A Method of increasing oral absorption of β-lactam antibiotics INTERX RESEARCH CORP. (US) 1984-09-11 US disclosed
EP-0036534-A1 An orally administrable drug form comprising a beta-lactam antibiotic and an adjuvant INTERx RESEARCH CORPORATION (US) 1981-09-30 EP disclosed
EP-0031561-A2 A rectally administered suppository comprising a drug and an adjuvant MERCK & CO. INC. (US) 1981-07-08 EP disclosed