SCHEMBL14745527

SCHEMBL14745527

CCc1cc(C(=O)O)c(=O)[nH]c1-c1cnc2[nH]ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 11/20 0.47
MAP4K1 Q92918 1/20 0.46
CDK7 P50613 2/20 0.46
MAP4K4 O95819 2/20 0.46
CHEK2 O96017 2/20 0.46
CDK1 P06493 2/20 0.46
FES P07332 2/20 0.46
ROS1 P08922 2/20 0.46
FER P16591 2/20 0.46
FLT4 P35916 2/20 0.46
KDR P35968 2/20 0.46
IRAK1 P51617 2/20 0.46
ROCK1 Q13464 2/20 0.46
PKN2 Q16513 2/20 0.46
MARK2 Q7KZI7 2/20 0.46
MINK1 Q8N4C8 2/20 0.46
AURKB Q96GD4 2/20 0.46
SLK Q9H2G2 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
STK17A Q9UEE5 2/20 0.46

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
SCHEMBL16440947 0.80 PTGS2 (0.44) GLO1
SCHEMBL14745318 0.78 APP (0.40) GLO1PIK3CA
SCHEMBL14741107 0.75 KDM4E (0.41)
SCHEMBL14741137 0.75 PRKAG1 (0.43) MAP4K1
SCHEMBL14741008 0.75 PDE3B (0.52)
SCHEMBL14741210 0.74 PRKAG1 (0.47) MAP4K1
SCHEMBL14740935 0.73 GRM5 (0.37) SYKMAPK8
SCHEMBL14741278 0.73 MCL1 (0.53) PIK3CD
SCHEMBL14741218 0.72 KDM4E (0.45)
SCHEMBL14741124 0.72 USP7 (0.42) CDK8CLK2CCNCJAK2

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 14 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 claimed
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US claimed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP claimed
CN-103889224-A ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC 2014-06-25 CN claimed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO 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
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 CDK8 4350/4885MAP4K1 4009/4885CDK7 4115/4885

“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.