SCHEMBL4884095

SCHEMBL4884095

CO/N=C(\C(=O)O)C(=O)CBr

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.32
TSHR P16473 1/20 0.32
TRPA1 O75762 1/20 0.31

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
SCHEMBL4811123 1.00 GSK3B (0.32) GSK3BTSHRTRPA1
SCHEMBL10743466 1.00 GSK3B (0.32) GSK3BTSHRTRPA1
Hydrochloric Acid SCHEMBL4812022 0.98 GSK3B (0.32) GSK3BTSHR
SCHEMBL28455957 0.81 TSHR (0.31) TSHR
Hydrochloric Acid SCHEMBL4806937 0.81
Hydrochloric Acid SCHEMBL4812908 0.81
SCHEMBL4812019 0.81 GSK3B (0.32) GSK3B
SCHEMBL9651049 0.81 GSK3B (0.32) GSK3B
SCHEMBL9651149 0.81 GSK3B (0.32) GSK3B
SCHEMBL9651052 0.81 GSK3B (0.32) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020028931-A1 Ceftiofur, its intermediate and a process for the preparation of the same AUROBINDO PHARMA LIMITED (IN) 2002-03-07 US claimed
US-4205180-A CHEMICAL INTERMEDIATES FOR NOVEL CEPHALOSPORIN COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-05-27 US claimed
JP-55094354-A None JP disclosed
US-7470786-B2 Method for manufacture of ceftriaxone sodium LUPIN LIMITED (IN) 2008-12-30 US disclosed
US-20080200670-A1 METHOD FOR THE MANUFACTURE OF CEFTRIAXONE SODIUM LUPIN LIMITED (RESEARCH PARK) (IN) 2008-08-21 US disclosed
US-20070049749-A1 Method for Manufacture of Ceftriaxone Sodium LUPIN LIMITED (RESEARCH PARK) (IN) 2007-03-01 US disclosed
US-20070015917-A1 Method For Manufacture of Ceftriaxone Sodium LUPIN LIMITED (RESEARCH PARK) (IN) 2007-01-18 US disclosed
WO-2006067803-A1 A NOVEL INTERMEDIATE FOR THE PREPARATION OF CEFEPIME LUPIN LIMITED (IN) 2006-06-29 WO disclosed
WO-2005040175-A2 PROCESS FOR THE PREPARATION OF CEPHEM CARBOXYLIC ACIDS RANBAXY LABORATORIES LIMITED (IN) 2005-05-06 WO disclosed
US-20050059821-A1 Method for manufacture of ceftriaxone sodium DATTA DEBASHISH (IN) 2005-03-17 US disclosed
US-20050059820-A1 Method for manufacture of ceftriaxone sodium LUPIN LIMITED (IN) 2005-03-17 US disclosed
US-4489072-A BACTERICIDE, ANTIBIOTIC TOYAMA CHEMICAL CO., LTD. (JP) 1984-12-18 US disclosed
US-4487927-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-11 US disclosed
EP-0036510-B1 SYNISOMER CEPHALOSPORIN COMPOUNDS AND PROCESSES FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-11-21 EP disclosed
EP-0123024-A2 7-Acylamino-3-vinylcephalosporanic acid derivatives, processes for their preparation, pharmaceutical compositions containing them; their starting compounds and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 EP disclosed
US-4458072-A CEPHALOSPORIN AND OXACEPHALOSPORIN BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1984-07-03 US disclosed
US-4423213-A ANTIBIOTIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-12-27 US disclosed
US-4409214-A Including cefixime; antibiotics FUJISAWA PHARMACEUTICAL, CO., LTD. (JP) 1983-10-11 US disclosed
EP-0030630-A2 7-Acylamino-3-vinylcephalosporanic acid derivatives, processes for their preparation, pharmaceutical compositions containing them; their starting compounds and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-24 EP disclosed
JP-S5594354-A SYN-ISOMER OF 2-SUBSTITUTED IMINO-3-OXO-4-HALOBUTYRIC ACID, ITS SALT, AND THEIR PREPARATION FUJISAWA PHARMACEUT CO LTD 1980-07-17 JP 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 (6 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-20070049749-A1 Method for Manufacture of Ceftriaxone Sodium TREH, CHAT, MRPL21 GSK3B 841/4885TSHR 3097/4885TRPA1 4857/4885
US-20020028931-A1 Ceftiofur, its intermediate and a process for the preparation of the same BLVRB, CBR1, BTD GSK3B 2672/4885TSHR 510/4885TRPA1 4866/4885
US-20050059820-A1 Method for manufacture of ceftriaxone sodium TREH, CHAT, MRPL21 GSK3B 841/4885TSHR 3097/4885TRPA1 4857/4885
US-20070015917-A1 Method For Manufacture of Ceftriaxone Sodium TREH, CHAT, MRPL21 GSK3B 841/4885TSHR 3097/4885TRPA1 4857/4885
US-20080200670-A1 METHOD FOR THE MANUFACTURE OF CEFTRIAXONE SODIUM CHAT, TREH, MRPL21 GSK3B 702/4885TSHR 3037/4885TRPA1 4855/4885
US-20050059821-A1 Method for manufacture of ceftriaxone sodium TREH, CHAT, MRPL21 GSK3B 841/4885TSHR 3097/4885TRPA1 4857/4885

“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.