Sugi Predict

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SCHEMBL5148637

SCHEMBL5148637

CC(C)(C)OC(=O)Nc1nc(C(=NOC(C)(C)C(=O)OC(C)(C)C)C(=O)O)ns1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ LCK P06239 6/20 0.32
▸ PSMB8 P28062 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5148633 1.00 CA1 (0.39) CA1CA2LCKPSMB8PI4KB
SCHEMBL21500402 0.90 CA1 (0.39) CA1CA2LCKPSMB8
SCHEMBL9079524 0.86 CA1 (0.37) CA1CA2LCKPSMB8PI4KB
SCHEMBL9122699 0.86 CA1 (0.40) CA1CA2LCKPSMB8PI4KB
SCHEMBL9122704 0.86 CA1 (0.40) CA1CA2LCKPSMB8PI4KB
SCHEMBL8761670 0.83 CA1 (0.41) CA1CA2LCKPSMB8PI4KB
SCHEMBL8761680 0.83 CA1 (0.41) CA1CA2LCKPSMB8PI4KB
SCHEMBL11253247 0.83 CA1 (0.38) CA1CA2LCKPSMB8PI4KB
SCHEMBL9148031 0.83 NPC1 (0.37) CA1CA2LCKPSMB8NPC1
SCHEMBL6359840 0.83 NPC1 (0.37) CA1CA2LCKPSMB8NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3511328-B1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2021-03-03 — — EP disclosed
US-20200276169-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2020-09-03 — — US disclosed
US-10369138-B2 Monobactam organic compounds for the treatment of bacterial infections NOVARTIS AG (CH) 2019-08-06 — — US disclosed
US-20190231752-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-08-01 — — US disclosed
EP-3511328-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS Novartis AG (CH) 2019-07-17 — — EP disclosed
US-9695196-B2 Reactions of thiadiazolyl-oximinoacetic acid derivative compounds MERCK SHARP & DOHME CORP. (US) 2017-07-04 — — US disclosed
US-20170129906-A1 REACTIONS OF THIADIAZOLYL-OXIMINOACETIC ACID DERIVATIVE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-05-11 — — US disclosed
US-20160051523-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2016-02-25 — — US disclosed
WO-2015196077-A1 REACTIONS OF THIADIAZOLYL-OXIMINOACETIC ACID DERIVATIVE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-12-23 — — WO disclosed
US-9174978-B2 Monobactam organic compounds for the treatment of bacterial infections NOVARTIS AG (CH) 2015-11-03 — — US disclosed
US-20150266867-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2015-09-24 — — US disclosed
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 — — EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 — — EP disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 — — EP disclosed
US-7179801-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-02-20 — — US disclosed
US-20070037786-A1 Cephem compounds WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 — — US disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 — — US disclosed
EP-1392704-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2006-02-22 — — EP disclosed
US-20040248875-A1 Cephem compounds ASTELLAS PHARMA INC. (JP) 2004-12-09 — — US disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 — — 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 (9 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-20070037786-A1 Cephem compounds CEP170, ABCB11, SLC7A1 CA1 3697/4885CA2 997/4885LCK 4424/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 CA1 3104/4885CA2 691/4885LCK 4556/4885
US-20150266867-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, BPGM CA1 3752/4885CA2 1199/4885LCK 679/4885
US-20190231752-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, BPGM CA1 3752/4885CA2 1199/4885LCK 679/4885
US-20200276169-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, BPGM CA1 3752/4885CA2 1199/4885LCK 679/4885
US-10369138-B2 Monobactam organic compounds for the treatment of bacterial infections MGAM, MGAM2, BPGM CA1 3752/4885CA2 1199/4885LCK 679/4885
US-20160051523-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, BPGM CA1 3752/4885CA2 1199/4885LCK 679/4885
US-20170129906-A1 REACTIONS OF THIADIAZOLYL-OXIMINOACETIC ACID DERIVATIVE COMPOUNDS TST, DCTD, MLYCD CA1 4107/4885CA2 3923/4885LCK 1796/4885
US-20040248875-A1 Cephem compounds CEP170, C1S, SLC7A1 CA1 3561/4885CA2 1167/4885LCK 4198/4885

“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.