SCHEMBL2453024

SCHEMBL2453024

CCSC(NC(=O)OC(C)(C)C)c1cnccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
TRPA1 O75762 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
CTSL P07711 1/20 0.36
CYP17A1 P05093 1/20 0.36
RAB9A P51151 1/20 0.36
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35

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
SCHEMBL7866099 0.79 TRPA1 (0.38) CYP3A4MAPTHPGDTRPA1AAK1
SCHEMBL6542475 0.74 TP53 (0.42) CYP3A4TRPA1AAK1TP53SMN1; SMN2
SCHEMBL7865999 0.72 TRPA1 (0.43) CYP3A4TRPA1AAK1TP53SMN1; SMN2
SCHEMBL25269073 0.71 ACE (0.47) CYP3A4PPARGPPARA
SCHEMBL25219574 0.71 ACE (0.47) CYP3A4PPARGPPARA
SCHEMBL25216680 0.71 ACE (0.47) CYP3A4PPARGPPARA
SCHEMBL31407253 0.69 TRPV1 (0.42) CYP3A4ALDH1A1MAPTTRPA1AAK1
SCHEMBL3229288 0.69 NAMPT (0.47) AAK1CYP17A1RAB9A
SCHEMBL762664 0.67 CTSA (0.45)
SCHEMBL30461868 0.67 KLK5 (0.43) CYP3A4ALDH1A1MAPTKDM4EGAA

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 25 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-0874854-B1 CEPHALOSPORIN ANTIBIOTICS MICROCIDE PHARMACEUTICALS INC (US) 2001-12-12 EP 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
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 CYP3A4 178/4885ALDH1A1 2455/4885MAPT 3937/4885
US-20080146535-A1 Compositions comprising carbacephem beta-lactam antibiotics and beta-lactamase inhibitors MGAM, CMBL, MGAM2 CYP3A4 661/4885ALDH1A1 3804/4885MAPT 2389/4885
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M CYP3A4 150/4885ALDH1A1 2468/4885MAPT 3888/4885

“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.