SCHEMBL2453029

SCHEMBL2453029

CC(C)(C)OC(N)=O.CCSCc1cnccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
IDO1 P14902 2/20 0.33
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
AAK1 Q2M2I8 1/20 0.31
KDM1A O60341 1/20 0.31
TP53 P04637 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
GAA P10253 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
MAPT P10636 2/20 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
SCHEMBL7866105 0.81 CA12 (0.35) MAPK8HPGDALDH1A1HTTAAK1
SCHEMBL7866009 0.80 CA12 (0.36) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL27773715 0.77 CYP3A4 (0.36) MAPK8MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2453025 0.76 IDO1 (0.50) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL27585729 0.72 CA12 (0.37) MAPK8TSHRHPGDALDH1A1HTT
SCHEMBL6542475 0.71 TP53 (0.42) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL12578615 0.70 SLC6A2 (0.35) MEN1KMT2ALMNATSHRALDH1A1
SCHEMBL27773814 0.69 CCNC (0.37) MEN1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL27667748 0.67 CYP3A4 (0.48) KMT2ALMNASMN1; SMN2ALDH1A1HTT
SCHEMBL2453026 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
EP-2205600-A1 CARBACEPHEM ß -LACTAM ANTIBIOTICS Achaogen, Inc. (US) 2010-07-14 EP disclosed
WO-2010030810-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 WO disclosed
WO-2010030811-A2 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 WO disclosed
EP-2161268-A1 Carbacephem beta-lactam compounds for the treatment of bacterial infections Trine Pharmaceuticals, Inc. (US) 2010-03-10 EP disclosed
EP-1618106-B1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS TRINE PHARMACEUTICALS INC (US) 2009-11-25 EP disclosed
WO-2009055696-A1 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2009-04-30 WO disclosed
US-20080146535-A1 Compositions comprising carbacephem beta-lactam antibiotics and beta-lactamase inhibitors BLANCA PHARMACEUTICALS, INC. 2008-06-19 US disclosed
EP-1059293-A1 Novel amino chlorothiazole compounds Microcide Pharmaceuticals, Inc. (US) 2000-12-13 EP disclosed
US-6087355-A A THERAPEUTIC BACTERICIDE COMPOSITION FOR TREATING A METHICILLIN-RESISTANT, VANCOMYCIN-RESISTANT, OR AMPICILLIN-RESISTANT BACTERIAL INFECTION MICROCIDE PHARMACEUTICALS, INC. (US) 2000-07-11 US disclosed
US-6066630-A ACTIVE AGAINST ANTIBIOTIC RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 2000-05-23 US disclosed
US-6057312-A TREATING ANTIBIOTIC RESISTANT BACTERIAL INFECTIONS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-05-02 US disclosed
US-6030965-A WIDE SPECTRAM ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-02-29 US disclosed
US-6025352-A Cephalosporin antibiotics MICROCIDE PHARMACEUTICALS, INC. (US) 2000-02-15 US disclosed
US-5859256-A CHLORINATION; USEFUL AS ANTIBACTERIAL AGENTS AND IN TREATING DISEASES CAUSED BY ORGANISMS WHICH ARE RESISTANT TO BETA-LACTAM ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-01-12 US disclosed
CN-1204336-A Cephalosporin antibiotics MICROCIDE PHARMACEUTICALS INC (US) 1999-01-06 CN disclosed
EP-0874854-A2 CEPHALOSPORIN ANTIBIOTICS Microcide Pharmaceuticals, Inc. (US) 1998-11-04 EP disclosed
WO-1997013772-A2 CEPHALOSPORIN ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 1997-04-17 WO 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 (3 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-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M MAPK8 4746/4885MEN1 2327/4885KMT2A 873/4885
US-20080146535-A1 Compositions comprising carbacephem beta-lactam antibiotics and beta-lactamase inhibitors MGAM, CMBL, MGAM2 MAPK8 4698/4885MEN1 4249/4885KMT2A 2350/4885
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M MAPK8 4713/4885MEN1 2194/4885KMT2A 819/4885

“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.