SCHEMBL7028779

SCHEMBL7028779

O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CO)CS[C@@H]12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.61
▸ MAPT P10636 6/20 0.61
▸ HPGD P15428 4/20 0.61
▸ NR1I2 O75469 3/20 0.61
▸ CTDSP1 Q9GZU7 3/20 0.61
▸ SLC22A6 Q4U2R8 2/20 0.61
▸ SLC22A8 Q8TCC7 2/20 0.61
▸ SLC22A11 Q9NSA0 2/20 0.61
▸ DNMT1 P26358 1/20 0.61
▸ KMT2A Q03164 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ PTGS1 P23219 2/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ HSD17B10 Q99714 4/20 0.57
▸ CYP3A4 P08684 3/20 0.57
▸ PKM P14618 2/20 0.57

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
SCHEMBL9436142 1.00 TDP1 (0.61) TDP1MAPTHPGDNR1I2CTDSP1
SCHEMBL11063940 1.00 TDP1 (0.61) TDP1MAPTHPGDNR1I2CTDSP1
SCHEMBL7040792 1.00 TDP1 (0.61) TDP1MAPTHPGDNR1I2CTDSP1
SCHEMBL7030196 1.00 TDP1 (0.61) TDP1MAPTHPGDNR1I2CTDSP1
SCHEMBL14065430 0.94 TDP1 (0.62) TDP1MAPTHPGDNR1I2CTDSP1
SCHEMBL11674593 0.94 TDP1 (0.62) TDP1MAPTHPGDNR1I2CTDSP1
SCHEMBL11674589 0.94 TDP1 (0.62) TDP1MAPTHPGDNR1I2CTDSP1
SCHEMBL11796727 0.92 TDP1 (0.60) TDP1MAPTHPGDNR1I2CTDSP1
SCHEMBL11688218 0.92 TDP1 (0.60) TDP1MAPTHPGDNR1I2CTDSP1
SCHEMBL11585087 0.92 TDP1 (0.60) TDP1MAPTHPGDNR1I2CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280808-A1 IMPROVED BETA-LACTAM ANTIBIOTICS NewBiotics, Inc. (US) 2003-02-05 — — EP disclosed
US-20020115642-A1 3-(2-(2,4-dichlorophenoxy)-5-chlorophenoxy)methyl-7-(2 -thienylacetamido)-3-cephem-4-carboxylic acid; for antibiotic (vancomycin) sensitive/resistant microorganisms NEWBIOTICS, INC. 2002-08-22 — — US disclosed
WO-2001083492-A1 IMPROVED BETA-LACTAM ANTIBIOTICS NEWBIOTICS, INC. (US) 2001-11-08 — — WO disclosed
EP-0484966-B1 7-Acyl-3-(substituted carbamoyloxy) cephem compounds, use thereof and process for their preparation EISAI CO LTD (JP) 2001-04-11 — — EP disclosed
EP-1074554-A2 7-acyl-3-(substituted carbamoyloxy) cephem compounds, use thereof and process for their preparation Eisai Co., Ltd. (JP) 2001-02-07 — — EP disclosed
EP-1074553-A1 7-Acyl-3-(substituted carbamoyloxy) cephem compounds, use thereof and process for their preparation Eisai Co., Ltd. (JP) 2001-02-07 — — EP disclosed
US-5741902-A INTERMEDIATES FOR CEPHEM ANTIBACTERIAL COMPOUNDS EISAI CO., LTD. (JP) 1998-04-21 — — US disclosed
EP-0761671-A1 Cephem derivatives Eisai Co., Ltd. (JP) 1997-03-12 — — EP disclosed
US-5604217-A CEPHALOSPORIN ANTIBIOTICS EISAI CO., LTD. (JP) 1997-02-18 — — US disclosed
US-5587473-A BLOCKING; CONDENSATION; DEBLOCKING EISAI CO., LTD. (JP) 1996-12-24 — — US disclosed
US-5563265-A BACTERICIDES EISAI CO., LTD. (JP) 1996-10-08 — — US disclosed
US-5559225-A ANTIBIOTICS EISAI CO., LTD. (JP) 1996-09-24 — — US disclosed
EP-0484966-A2 7-Acyl-3-(substituted carbamoyloxy) cephem compounds, use thereof and process for their preparation Eisai Co., Ltd. (JP) 1992-05-13 — — EP disclosed
US-5017569-A Cephalosporin derivatives ICI PHARMA (FR) 1991-05-21 — — US disclosed
EP-0267733-A2 Cephalosporin compounds, process for their preparation and pharmaceutical compositions containing them ZENECA Pharma S.A. (FR) 1988-05-18 — — EP disclosed
US-3950329-A FLUORINATED CEPHALOSPORINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-04-13 — — 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-20020115642-A1 3-(2-(2,4-dichlorophenoxy)-5-chlorophenoxy)methyl-7-(2 -thienylacetamido)-3-cephem-4-carboxylic acid; for antibiotic (vancomycin) sensitive/resistant microorganisms DAO, APEH, HGF TDP1 4410/4885MAPT 3360/4885HPGD 2011/4885

“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.

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