SCHEMBL6547773

SCHEMBL6547773

NCCCC([C]=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.47
GSR P00390 1/20 0.45
RNPEP Q9H4A4 1/20 0.43
GABRR1 P24046 3/20 0.38
LMNA P02545 2/20 0.37
THRB P10828 2/20 0.37
BLM P54132 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GABRR3 A8MPY1 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
HDAC3 O15379 1/20 0.37
GABBR2 O75899 1/20 0.37
CYP1A2 P05177 1/20 0.37
GABRA1 P14867 1/20 0.37
TSHR P16473 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37

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
SCHEMBL1401236 0.77 CA2 (0.50) TSHRHDAC1HDAC2ALDH1A1SLC6A3
SCHEMBL6539103 0.76 MAPT (0.55)
SCHEMBL5834996 0.75
SCHEMBL15710827 0.75 CPB2 (0.54) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL970515 0.74 MAPT (0.59) BLM
SCHEMBL527476 0.74 MAPT (0.59) BLM
SCHEMBL10923278 0.74 MAPT (0.59) BLM
SCHEMBL10727967 0.74 GSR (0.42) CPB2GSRRNPEPLMNATHRB
SCHEMBL19124775 0.72 PAOX (0.43) CPB2GSRRNPEPLMNATHRB
SCHEMBL21980323 0.72 PAOX (0.43) CPB2GSRRNPEPLMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040181056-A1 Process for preparing cephalosporanic acid derivatives using a-ketoacid derivatives BIOFERMA MURCIA S.A. 2004-09-16 US disclosed
US-20040175783-A1 Process for preparing cephalosporanic acid derivatives using alpha-ketoacid derivatives BIOFERMA MURCIA S.A. 2004-09-09 US disclosed
US-6730497-B2 ENZYMATICALLY CONVERTING A 3-THIOLATED CEPHALOSPORIN C INTO A 3-THIOLATED-ALPHA-KETOADIPYL-7-AMINOCEPHALOSPORANIC ACID DERIVATIVE OF USE IN THE PREPARATION OF CEPHALOSPORIN C ANTIBIOTICS AND DERIVATIVES THEREOF BIOFERMA MURCIA S.A. (ES) 2004-05-04 US disclosed
US-20040067549-A1 Process for preparing cephalosporin derivatives BIOFERMA MURCIA S.A. 2004-04-08 US disclosed
EP-1381690-A2 ENZYMATIC PROCESS FOR PREPARING CEPHALOSPORIN DERIVATIVES Bioferma Murcia, S.A. (ES) 2004-01-21 EP disclosed
EP-1379531-A2 ENZYMATIC PROCESS FOR PREPARING CEPHALOSPORANIC ACID DERIVATIVES USING ALPHA-KETOACID DERIVATIVES Bioferma Murcia, S.A. (ES) 2004-01-14 EP disclosed
US-6642020-B2 Enzymatically converting a 3-thiolated cephalosporin C compound to form a 3-thiolated -glutaryl-7-amino cephalosporanic acid compound; enzymatically converting to form 3-thiolated-7-amino cephalosporanic acid compound BIOFERMA MURCIA S.A. (ES) 2003-11-04 US disclosed
US-20030104515-A1 Enzymatically converting a 3-thiolated cephalosporin C into a 3-thiolated-alpha-ketoadipyl-7-aminocephalosporanic acid derivative of use in the preparation of cephalosporin C antibiotics and derivatives thereof BIOFERMA MURCIA S.A. (ES) 2003-06-05 US disclosed
US-20030073156-A1 Process for preparing cephalosporin derivatives BIOFERMA MURCIA S.A. (ES) 2003-04-17 US disclosed
WO-2002086143-A2 ENZYMATIC PROCESS FOR PREPARING CEPHALOSPORIN DERIVATIVES BIOFERMA MURCIA, S.A. (ES) 2002-10-31 WO disclosed
EP-0517200-B1 Process for the enzymatic production of cephalosporane derivatives MINI RICERCA SCIENT TECNOLOG (IT) 1996-08-14 EP disclosed
US-5296358-A Oxidative deamination MINISTERO DELL'UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1994-03-22 US disclosed
EP-0517200-A2 Process for the enzymatic production of cephalosporane derivatives MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1992-12-09 EP disclosed
US-4293462-A Process for the manufacture of enol derivatives, and intermediates CIBA-GEIGY CORPORATION (US) 1981-10-06 US disclosed
US-4281116-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-07-28 US disclosed
US-4260745-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1981-04-07 US disclosed
US-4252950-A ANTIBIOTICS, BACTERICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1981-02-24 US disclosed
US-4208515-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1980-06-17 US disclosed
US-4064343-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-20 US disclosed
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 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 (4 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-20030104515-A1 Enzymatically converting a 3-thiolated cephalosporin C into a 3-thiolated-alpha-ketoadipyl-7-aminocephalosporanic acid derivative of use in the preparation of cephalosporin C antibiotics and derivatives thereof ALDH7A1, DDC, KYAT3 CPB2 250/4885GSR 3338/4885RNPEP 48/4885
US-20040175783-A1 Process for preparing cephalosporanic acid derivatives using alpha-ketoacid derivatives ALDH7A1, BCKDK, CYP3A7 CPB2 647/4885GSR 3204/4885RNPEP 287/4885
US-20040181056-A1 Process for preparing cephalosporanic acid derivatives using a-ketoacid derivatives ALDH7A1, BCKDK, CYP3A7 CPB2 661/4885GSR 3297/4885RNPEP 240/4885
US-20030073156-A1 Process for preparing cephalosporin derivatives ALDH7A1, COASY, AADAC CPB2 356/4885GSR 1180/4885RNPEP 139/4885

“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.