SCHEMBL14745462

SCHEMBL14745462

CCc1c(-c2cn(C)c3ccccc23)[nH]c(=O)c(C(=O)OC)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.45
GSK3B P49841 4/20 0.45
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CCNE2 O96020 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
GSK3A P49840 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PADI4 Q9UM07 1/20 0.39

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
SCHEMBL14745036 0.88 GSK3B (0.47) GSK3BKDM4ECCNE2CDK4CCND1
SCHEMBL17597373 0.85 GSK3B (0.39) NR4A2GSK3BKDM4ECCNE2CDK4
SCHEMBL14741013 0.81 USP2 (0.33) NR4A2KDM4EALDH1A1MEN1HPGD
SCHEMBL17597372 0.81 GSK3B (0.40) GSK3BKMT2ACCNE2CDK4CCND1
SCHEMBL16441022 0.80 MAPT (0.34) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL14757761 0.79 NR4A2 (0.53) NR4A2GSK3BKDM4EALDH1A1CCNE2
SCHEMBL14744952 0.77 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL14757919 0.75 KDM4E (0.32) KDM4EALDH1A1HSD17B10GAAHTT
SCHEMBL14741301 0.74 PTPN1 (0.37) GSK3BMEN1KMT2A
SCHEMBL14744739 0.72 CD274 (0.37) KDM4EGAA

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 NR4A2 4625/4885GSK3B 3565/4885KDM4E 4305/4885

“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.