SCHEMBL3079212

SCHEMBL3079212

CC(C)(C)Sc1cccnc1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
HSD17B10 Q99714 5/20 0.35
HPGD P15428 4/20 0.34
SLC22A12 Q96S37 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
AOC3 Q16853 1/20 0.33
CXCR4 P61073 1/20 0.32
KDM4E B2RXH2 6/20 0.32
HTT P42858 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL3081194 0.82 AOC3 (0.43) ALDH1A1L3MBTL1HSD17B10SLC22A12CHRM2
SCHEMBL3068375 0.82 AOC3 (0.33) ALDH1A1L3MBTL1SLC22A12CHRM2CHRM4
SCHEMBL6238584 0.81 ALDH1A1 (0.44) ALDH1A1L3MBTL1HSD17B10HPGDCHRM2
SCHEMBL31299270 0.79 ALDH1A1 (0.53) ALDH1A1L3MBTL1HSD17B10HPGDCXCR4
SCHEMBL3078710 0.79 HTR2A (0.39) ALDH1A1L3MBTL1HSD17B10AOC3CXCR4
SCHEMBL3081118 0.78 SLC22A12 (0.36) ALDH1A1L3MBTL1SLC22A12AOC3CXCR4
SCHEMBL3081098 0.77 CYP2A6 (0.40) AOC3CXCR4
SCHEMBL14959709 0.76 PDE5A (0.33)
SCHEMBL3086519 0.76 SLC22A12 (0.35) ALDH1A1SLC22A12CXCR4MEN1KMT2A
SCHEMBL5489047 0.74 L3MBTL1 (0.40) L3MBTL1AOC3

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
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
CN-101835777-A Carbacephem beta-lactam antibiotics ACHAOGEN INC 2010-09-15 CN disclosed
EP-2205600-A1 CARBACEPHEM ß -LACTAM ANTIBIOTICS Achaogen, Inc. (US) 2010-07-14 EP disclosed
WO-2010030811-A2 CARBACEPHEM β-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
WO-2009055696-A1 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2009-04-30 WO disclosed
WO-2009055696-A1 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2009-04-30 WO disclosed
EP-1222194-B1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF TRINE PHARMACEUTICALS INC (US) 2005-06-15 EP disclosed
US-6723716-B1 BACTERICIDE FOR STAPHYLOCOCCUS ESSENTIAL THERAPEUTICS, INC. 2004-04-20 US disclosed
EP-1222194-A1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF Essential Therapeutics, Inc. (US) 2002-07-17 EP disclosed
WO-2001021623-A1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF ESSENTIAL THERAPEUTICS, INC. (US) 2001-03-29 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 (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-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M ALDH1A1 2468/4885L3MBTL1 304/4885HSD17B10 335/4885

“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.