Cefoxitin

Cefoxitin

SCHEMBL3825166

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 SCHEMBL9489255 1.00 NR1I2 (1.00) NR1I2PPARGTDP1HSD17B10MAPT
Cefoxitin SCHEMBL9489265 1.00 NR1I2 (1.00) NR1I2PPARGTDP1HSD17B10MAPT
Cefoxitin SCHEMBL15971 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748049-B1 Process for preparing cefoxitin ACS DOBFAR SPA (IT) 2009-09-09 EP disclosed
US-20060252928-A1 Process for the preparation of cefoxitin ORCHID CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2006-11-09 US disclosed
US-4564676-A Process for preparing cephalosporin derivatives SANKYO COMPANY LIMITED (JP) 1986-01-14 US disclosed
US-4390693-A BACTERICIDE MERCK & CO., INC. (US) 1983-06-28 US disclosed
US-4343937-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1982-08-10 US disclosed
US-4342869-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-08-03 US disclosed
US-4342757-A Cephalosporin antibiotic compositions MERCK & CO., INC. (US) 1982-08-03 US disclosed
US-4338437-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US disclosed
US-4338438-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-4058661-A 7-Diacyl cephalosporins MERCK & CO., INC. (US) 1977-11-15 US disclosed
US-4053286-A ACYLATION MERCK & CO., INC. (US) 1977-10-11 US disclosed
US-4053286-A ACYLATION MERCK & CO., INC. (US) 1977-10-11 US disclosed
US-4042472-A Electrolytic process for 7-methoxy-3-exomethylenecepham compounds ELI LILLY AND COMPANY (US) 1977-08-16 US disclosed
US-4031085-A Preparation of 3-hydroxymethyl-7β-aminoadipoyl-7α-methoxy-3-cephem-4-carboxylic acid MERCK & CO., INC. (US) 1977-06-21 US disclosed
US-4028355-A Cephalosporin purification process SMITHKLINE CORPORATION (US) 1977-06-07 US disclosed
US-4014873-A Process for the production of 7-acylamidocephalosporins MERCK & CO., INC. (US) 1977-03-29 US disclosed
US-3974151-A Cephalosporin compounds MERCK & CO., INC. (US) 1976-08-10 US disclosed
US-3962224-A CHEMICAL INTERMEDIATES FOR ANTIBIOTICS MERCK & CO., INC. (US) 1976-06-08 US disclosed
US-3960845-A HALOGENATION SANKYO COMPANY LIMITED (JA) 1976-06-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060252928-A1 Process for the preparation of cefoxitin CYP2F1, CYP2C9, CYP2C19 NR1I2 2293/4885PPARG 3948/4885TDP1 4744/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.