Cephalothin

Cephalothin

SCHEMBL10974577

CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)[C@@H]2SC1

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 Cephalothin. 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
▸ MAPT P10636 8/20 1.00
▸ TDP1 Q9NUW8 7/20 1.00
▸ NR1I2 O75469 4/20 1.00
▸ HPGD P15428 3/20 1.00
▸ CTDSP1 Q9GZU7 2/20 1.00
▸ SLC22A6 Q4U2R8 2/20 1.00
▸ SLC22A8 Q8TCC7 2/20 1.00
▸ SLC22A11 Q9NSA0 2/20 1.00
▸ DNMT1 P26358 1/20 1.00
▸ POLB P06746 3/20 0.84
▸ CYP3A4 P08684 2/20 0.84
▸ HSD17B10 Q99714 2/20 0.84
▸ KDM4E B2RXH2 2/20 0.84
▸ MEN1 O00255 2/20 0.84
▸ KMT2A Q03164 2/20 0.84
▸ LMNA P02545 2/20 0.84
▸ SMN1; SMN2 Q16637 2/20 0.84
▸ GLA P06280 1/20 0.84
▸ APEX1 P27695 1/20 0.84
▸ PKM P14618 1/20 0.84

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
Cephalothin SCHEMBL4319851 1.00 MAPT (1.00) MAPTTDP1NR1I2HPGDCTDSP1
Cephalothin SCHEMBL1624515 1.00 MAPT (1.00) MAPTTDP1NR1I2HPGDCTDSP1
Cephalothin SCHEMBL11039891 1.00 MAPT (1.00) MAPTTDP1NR1I2HPGDCTDSP1
Cephalothin SCHEMBL5791156 1.00 MAPT (1.00) MAPTTDP1NR1I2HPGDCTDSP1
Cephalothin SCHEMBL4394024 1.00 MAPT (1.00) MAPTTDP1NR1I2HPGDCTDSP1
Cephalothin SCHEMBL16072835 1.00 MAPT (1.00) MAPTTDP1NR1I2HPGDCTDSP1
Cephalothin SCHEMBL2990 1.00 MAPT (1.00) MAPTTDP1NR1I2HPGDCTDSP1
Cephalothin SCHEMBL9159686 1.00 MAPT (1.00) MAPTTDP1NR1I2HPGDCTDSP1
Cephalothin SCHEMBL11505696 0.99 MAPT (0.98) MAPTTDP1NR1I2HPGDCTDSP1
Cephalothin SCHEMBL1331925 0.99 MAPT (0.98) MAPTTDP1NR1I2HPGDCTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0132987-A1 Improvements in or relating to deesterification to acids ELI LILLY AND COMPANY (US) 1985-02-13 — — EP disclosed
US-4465668-A CONTAINING A BONDED OLIGOPEPTIDE GROUP ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-08-14 — — US disclosed
EP-0034924-B1 PROCESS FOR PREPARING 3-IODOMETHYL CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1984-07-04 — — EP disclosed
EP-0060422-A2 Method for improving intestinal absorption of cephalosporin derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-09-22 — — EP 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-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 — — US disclosed
US-4031082-A Process for preparing 3-acycloxymethyl-2-cephem compounds ELI LILLY AND COMPANY (US) 1977-06-21 — — US disclosed
US-4029651-A ESTERIFICATION ELI LILLY AND COMPANY (US) 1977-06-14 — — US disclosed
US-4014873-A Process for the production of 7-acylamidocephalosporins MERCK & CO., INC. (US) 1977-03-29 — — US disclosed
US-4012379-A 7-Acetoacetamidocephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-15 — — US disclosed
US-3998816-A 7-[5-N-(n-Butoxyethoxy carbonyl and 2-chloroethoxy carbonyl)-amino] cephalosporins C MEIJI SEIKA KAISHA, LTD. (JA) 1976-12-21 — — US disclosed
US-3994885-A WITH ALKALI METAL ALKOXIDE, HALOGENATION ELI LILLY AND COMPANY (US) 1976-11-30 — — US disclosed
US-3988326-A Process for N-acylation of 7 amino cephem compounds MEIJI SEIKA KAISHA, LTD. (JA) 1976-10-26 — — US disclosed
US-3987040-A 3-SUBSTITUTED METHYL-7-ACYLAMINO-7-METHOXY-2-CEPHEM-4-CARBOXYLIC ACID AND ITS ESTERS MERCK & CO., INC. (US) 1976-10-19 — — US disclosed
US-3953436-A 3,4-Dicarboxycephalosporins and derivatives ELI LILLY AND COMPANY (US) 1976-04-27 — — US disclosed
US-3950329-A FLUORINATED CEPHALOSPORINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-04-13 — — US disclosed
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