SCHEMBL14740942

SCHEMBL14740942

CCc1cc(C(=O)OC)c(OC)nc1-c1ccc2c(c1)cc(C1CN(C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1)n2C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
ROCK2 O75116 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ABHD6 Q9BV23 2/20 0.35
DAGLA Q9Y4D2 1/20 0.35
BACE1 P56817 2/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
TLR9 Q9NR96 2/20 0.34
TLR7 Q9NYK1 1/20 0.34
PRMT5 O14744 2/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL14747046 0.87 PKM (0.36) GPR119BACE1KDM4EALDH1A1MAPT
SCHEMBL14757734 0.83 ALDH1A1 (0.36) GPR119NR1H2NR1H3TP53GLA
SCHEMBL14741029 0.80 PKM (0.34) GPR119NR1H2BACE1KDM4EALDH1A1
SCHEMBL14744723 0.79 PDK1 (0.43) PARP1GPR119PDK1PDK2PDK3
SCHEMBL16428797 0.79 RCE1 (0.33) TP53LMNAMAPT
SCHEMBL14744890 0.78 ALDH1A1 (0.35) TP53GLATSHRHSD17B10KDM4E
SCHEMBL31056635 0.76 NR1H2 (0.48) PARP1GPR119PDK1PDK2PDK3
SCHEMBL16440994 0.73 CNR1 (0.39) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL31056740 0.72 NR1H2 (0.49) PARP1GPR119PDK1PDK2PDK3
SCHEMBL2726051 0.70 PDK1 (0.53) PARP1GPR119PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP PARP1 2143/4885GPR119 4685/4885PDK1 4299/4885

“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.