SCHEMBL14744946

SCHEMBL14744946

CC1(C)OB(c2ccc3cc4n(c3c2)CC(NC(=O)O)C4)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.37
USP30 Q70CQ3 1/20 0.36
ROCK1 Q13464 1/20 0.33
HIF1A Q16665 4/20 0.33
LIPG Q9Y5X9 3/20 0.33
LPL P06858 2/20 0.33
P4HB P07237 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
F2 P00734 1/20 0.31
F11 P03951 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30

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
SCHEMBL14744945 0.92 USP30 (0.36) IRAK4USP30ROCK1HIF1ALIPG
SCHEMBL16447324 0.79 USP30 (0.43) USP30HIF1APRMT5WDR77
SCHEMBL16468052 0.73 POLB (0.46)
SCHEMBL16468474 0.73 POLB (0.46)
SCHEMBL16468465 0.73 POLB (0.46)
SCHEMBL2556943 0.73 CA1 (0.39) USP30ROCK1HIF1ALIPGLPL
SCHEMBL16611937 0.72 POLB (0.47)
SCHEMBL16612292 0.72 POLB (0.39) USP30IDO1TDO2
SCHEMBL16611803 0.71 ROCK1 (0.40) USP30ROCK1IDO1TDO2
SCHEMBL16441042 0.70 LPL (0.35) IRAK4ROCK1LIPGLPLCA12

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 IRAK4 2398/4885USP30 2299/4885ROCK1 3634/4885

“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.