SCHEMBL14745108

SCHEMBL14745108

CCc1c(OCOC)c(C(=O)OC)c(=O)n(Cc2ccc(OC)cc2OC)c1-c1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.40
TLR7 Q9NYK1 1/20 0.38
BRD4 O60885 1/20 0.38
PDE4B Q07343 1/20 0.37
NAMPT P43490 1/20 0.37
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
AADAT Q8N5Z0 1/20 0.35
FGFR1 P11362 1/20 0.35
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
CDK7 P50613 1/20 0.35
CDK13 Q14004 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
PDK4 Q16654 1/20 0.34
MAPT P10636 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16568112 0.81 MEN1 (0.38) MAPTMEN1ALDH1A1KMT2A
SCHEMBL16568228 0.77 HTT (0.43) PDE4BAADATMAPTKDM4EMEN1
SCHEMBL14744868 0.71 NR1H2 (0.37) P2RX3AADATMAPTKDM4EMEN1
SCHEMBL14745171 0.70 MAPT (0.37) P2RX3PDE4BAADATMAPTKDM4E
SCHEMBL8193684 0.69 NAMPT (0.59) NAMPTGRM5GRM1CDK7CDK13
SCHEMBL16568122 0.69 MEN1 (0.41) P2RX3MAPTKDM4EMEN1ALDH1A1
SCHEMBL25483052 0.68 QDPR (0.53) TLR7BRD4PDE4BNAMPTGRM5
SCHEMBL16992228 0.67 QDPR (0.54) TLR7BRD4PDE4BNAMPTGRM5
SCHEMBL29752766 0.66 GRM1 (0.48) P2RX3NAMPTGRM5GRM1MAPT
SCHEMBL21274822 0.66 GRM1 (0.48) P2RX3NAMPTGRM5GRM1MAPT

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-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US disclosed
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US disclosed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033240-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-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP P2RX3 3360/4885TLR7 702/4885BRD4 2439/4885

“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.