SCHEMBL14744723

SCHEMBL14744723

Cn1c(C2CN(C(=O)OC(C)(C)C)CCN2C(=O)OCc2ccccc2)cc2cc(Br)ccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
PARP1 P09874 1/20 0.42
USP30 Q70CQ3 1/20 0.42
P2RX7 Q99572 1/20 0.39
TMEM97 Q5BJF2 5/20 0.39
SIGMAR1 Q99720 5/20 0.39
RORC P51449 1/20 0.38
KRAS P01116 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AGTR2 P50052 1/20 0.37

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
SCHEMBL14758097 0.81 PDK1 (0.45) PDK1PDK2PDK3PDK4PARP1
SCHEMBL14740942 0.79 PARP1 (0.37) PDK1PDK2PDK3PDK4PARP1
SCHEMBL2726051 0.79 PDK1 (0.53) PDK1PDK2PDK3PDK4PARP1
SCHEMBL30749363 0.79 NR1H2 (0.52) PDK1PDK2PDK3PDK4PARP1
SCHEMBL14745266 0.76 USP30 (0.44) USP30MEN1KMT2A
SCHEMBL14745448 0.76 USP30 (0.44) USP30MEN1KMT2A
SCHEMBL22034173 0.76 PARP1 (0.57) PDK1PDK2PDK3PDK4PARP1
SCHEMBL14744932 0.76 USP30 (0.56) USP30GPR119
SCHEMBL14745267 0.76 USP30 (0.44) USP30MEN1KMT2A
SCHEMBL29369782 0.75 PDK1 (0.52) PDK1PDK2PDK3PDK4PARP1

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 9 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-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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 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
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 PDK1 4299/4885PDK2 4150/4885PDK3 3646/4885

“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.