SCHEMBL14745842

SCHEMBL14745842

COc1ccc(Cn2c3c(c(O)c(C(=O)O)c2=O)CCCN(C(=O)OC(C)(C)C)c2cc4c(cc2-3)cc(C=O)n4C)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.36
EDNRB P24530 4/20 0.34
EGLN1 Q9GZT9 3/20 0.34
AADAT Q8N5Z0 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
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
SCHEMBL14746083 0.96 P2RX3 (0.38) P2RX3EDNRBEGLN1AADATKMT2A
SCHEMBL14746263 0.90 P2RX3 (0.36) P2RX3EDNRBEGLN1AADATKMT2A
SCHEMBL16428773 0.86 P2RX3 (0.38) P2RX3EDNRBEGLN1AADATKMT2A
SCHEMBL14745609 0.85 P2RX3 (0.36) P2RX3EGLN1AADATKMT2AMEN1
SCHEMBL14745934 0.84 EDNRB (0.38) EDNRBEGLN1AADATKMT2AMEN1
SCHEMBL14746063 0.84 EDNRB (0.38) EDNRBEGLN1AADATKMT2AMEN1
SCHEMBL14745808 0.83 EDNRB (0.39) EDNRBEGLN1KMT2AMEN1ALDH1A1
SCHEMBL14746027 0.81 EDNRB (0.37) EDNRBEGLN1AADATKMT2AMEN1
SCHEMBL16428740 0.81 P2RX3 (0.35) P2RX3EGLN1AADATKMT2AMEN1
SCHEMBL14746216 0.81 EDNRB (0.40) EDNRBEGLN1KMT2AMEN1ALDH1A1

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 3360/4885EDNRB 3885/4885EGLN1 712/4885

“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.