SCHEMBL14745609

SCHEMBL14745609

COC(=O)c1c(O)c2c(n(Cc3ccc(OC)cc3OC)c1=O)-c1cc3cc(CO)n(C)c3cc1N(C(=O)OC(C)(C)C)CCC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.36
EGLN1 Q9GZT9 4/20 0.35
AADAT Q8N5Z0 2/20 0.32
EPHX2 P34913 1/20 0.32
STS P08842 1/20 0.32
TSHR P16473 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PIK3CA P42336 1/20 0.31
PRKDC P78527 1/20 0.31

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
SCHEMBL16428774 0.96 P2RX3 (0.38) P2RX3EGLN1AADATEPHX2STS
SCHEMBL14746263 0.94 P2RX3 (0.36) P2RX3EGLN1AADATTSHRMEN1
SCHEMBL16428740 0.91 P2RX3 (0.35) P2RX3EGLN1AADATMEN1KMT2A
SCHEMBL16428773 0.90 P2RX3 (0.38) P2RX3EGLN1AADATTSHRMEN1
SCHEMBL16428781 0.87 P2RX3 (0.37) P2RX3EGLN1AADATEPHX2STS
SCHEMBL14745842 0.85 P2RX3 (0.36) P2RX3EGLN1AADATTSHRMEN1
SCHEMBL14745710 0.84 EGLN1 (0.37) EGLN1TSHRMEN1KMT2AMAPT
SCHEMBL14746181 0.84 EGLN1 (0.37) EGLN1TSHRMAPTRAB9AALDH1A1
SCHEMBL14746097 0.83 EGLN1 (0.38) EGLN1TSHRMAPTRAB9AALDH1A1
SCHEMBL14746006 0.81 EGLN1 (0.35) EGLN1TSHRMEN1KMT2AMAPT

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
EP-2750678-B1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC (US) 2017-03-22 EP disclosed
US-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. 2015-02-05 US disclosed
EP-2750678-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033228-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-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP P2RX3 3360/4885EGLN1 712/4885AADAT 1779/4885

“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.