SCHEMBL14745406

SCHEMBL14745406

CCCC(=O)c1ccc2c(c1)cc1n2CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.49
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
NR1H2 P55055 1/20 0.46
CNR2 P34972 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 13/20 0.41
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
SCHEMBL14745458 0.85 SIGMAR1 (0.44) MAPTSIGMAR1ALDH1A1HPGDRAB9A
SCHEMBL14805405 0.81 NR1H2 (0.49) NR1H2SIGMAR1
SCHEMBL23726934 0.80 NR1H2 (0.51) NR1H2MEN1KMT2ASIGMAR1
SCHEMBL14745358 0.80 NR1H2 (0.51) NR1H2SIGMAR1
SCHEMBL4055137 0.79 NR1H2 (0.56) NR1H2MAPTMEN1KMT2ASIGMAR1
SCHEMBL615033 0.79 SIGMAR1 (0.63) NR1H2SIGMAR1
SCHEMBL14745227 0.74 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CCNR2
SCHEMBL16140217 0.73 NR1H2 (0.55) NR1H2MAPTSIGMAR1ALDH1A1
SCHEMBL16140212 0.73 NR1H2 (0.51) NR1H2MAPTSIGMAR1ALDH1A1
SCHEMBL7169780 0.73 NR1H2 (0.51) NR1H2MAPTSIGMAR1ALDH1A1

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

“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.