SCHEMBL14744829

SCHEMBL14744829

CCc1c(O)c(C(=O)OC)c(=O)n(Cc2ccc(OC)cc2OC)c1-c1ccc2c(c1)c(F)c(CO)n2C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.39
PLA2G2A P14555 2/20 0.37
TP53 P04637 3/20 0.37
MAPT P10636 3/20 0.35
EGLN1 Q9GZT9 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP2 O75604 1/20 0.34
NR3C2 P08235 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
SCHEMBL14745187 0.88 EDNRB (0.35) EDNRBPLA2G2ATP53EGLN1KDM4E
SCHEMBL14744693 0.84 L3MBTL1 (0.38) EDNRBPLA2G2ATP53MAPTEGLN1
SCHEMBL14745242 0.82 EDNRB (0.44) EDNRBPLA2G2ATP53MAPTKDM4E
SCHEMBL16568122 0.80 MEN1 (0.41) EDNRBMAPTEGLN1KDM4EMEN1
SCHEMBL14744669 0.77 EDNRB (0.43) EDNRBPLA2G2AKDM4EALDH1A1
SCHEMBL14744705 0.76 EDNRB (0.34) EDNRBPLA2G2ATP53MAPTEGLN1
SCHEMBL16568173 0.76 ALDH1A1 (0.39) EDNRBMAPTEGLN1KDM4EMEN1
SCHEMBL16568295 0.75 HDAC3 (0.38) EDNRBMAPTEGLN1ALDH1A1POLB
SCHEMBL16568298 0.75 HDAC3 (0.38) EDNRBMAPTEGLN1ALDH1A1POLB
SCHEMBL14744875 0.75 NPC1 (0.39) EDNRBPLA2G2ATP53MAPTKDM4E

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 EDNRB 3885/4885PLA2G2A 2737/4885TP53 2640/4885

“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.