SCHEMBL14745227

SCHEMBL14745227

CCCC(=O)c1ccc2c(c1)cc(C1CCN(C(=O)OC(C)(C)C)C1)n2C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.53
PDE4B Q07343 3/20 0.53
PDE4A P27815 2/20 0.53
PDE4C Q08493 2/20 0.53
CNR2 P34972 1/20 0.43
SCN9A Q15858 2/20 0.41
USP30 Q70CQ3 2/20 0.41
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
CNR1 P21554 1/20 0.39
HPGDS O60760 1/20 0.39
HSD11B1 P28845 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL14744932 0.82 USP30 (0.56) PDE4BUSP30CCNKCDK12MAPT
SCHEMBL14741318 0.80 PDE4B (0.42) PDE4DPDE4BPDE4APDE4CCNR2
SCHEMBL14745406 0.74 PDE4D (0.49) PDE4DPDE4BPDE4APDE4CCNR2
SCHEMBL2636994 0.71 HSD11B1 (0.68) PDE4DPDE4BPDE4APDE4CUSP30
SCHEMBL25338268 0.70 USP30 (0.64) PDE4BUSP30MAPTKDM4ETHRB
SCHEMBL25941643 0.69 USP30 (0.46) SCN9AUSP30MAPTKDM4ETHRB
SCHEMBL30987722 0.69 CNR1 (0.47) PDE4BCNR2SCN9AUSP30CCNK
SCHEMBL30987715 0.69 CNR1 (0.47) PDE4BCNR2SCN9AUSP30CCNK
SCHEMBL22031823 0.69 TNKS (0.50) USP30MAPTKDM4EMEN1KMT2A
SCHEMBL31386285 0.69 PDE4B (0.53) PDE4BMAPTMEN1KMT2AALDH1A1

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 6 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-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

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 PDE4D 3502/4885PDE4B 3185/4885PDE4A 3118/4885

“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.