SCHEMBL14745779

SCHEMBL14745779

COc1ccc(Cn2c3c(c(O)c(C(=O)O)c2=O)Cc2cc4c(cc2-3)cc(CO)n4C)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.40
TSHR P16473 2/20 0.38
FEN1 P39748 1/20 0.36
EGLN1 Q9GZT9 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL14746196 0.93 EDNRB (0.40) EDNRBTSHRFEN1EGLN1SMN1; SMN2
SCHEMBL14746160 0.92 EDNRB (0.39) EDNRBTSHRFEN1EGLN1SMN1; SMN2
SCHEMBL16429014 0.92 EDNRB (0.39) EDNRBTSHRFEN1EGLN1SMN1; SMN2
SCHEMBL14746216 0.88 EDNRB (0.40) EDNRBTSHRFEN1EGLN1HDAC3
SCHEMBL14745717 0.88 EDNRB (0.36) EDNRBTSHRFEN1EGLN1MEN1
SCHEMBL14745699 0.86 EDNRB (0.40) EDNRBTSHRFEN1EGLN1SMN1; SMN2
SCHEMBL14745513 0.86 EDNRB (0.40) EDNRBTSHRFEN1EGLN1SMN1; SMN2
SCHEMBL14746097 0.86 EGLN1 (0.38) EDNRBTSHREGLN1HDAC3HDAC1
SCHEMBL16429219 0.86 EDNRB (0.38) EDNRBTSHRFEN1EGLN1MEN1
SCHEMBL16429314 0.85 EDNRB (0.37) EDNRBTSHRFEN1EGLN1SMN1; SMN2

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 EDNRB 3885/4885TSHR 4837/4885FEN1 949/4885

“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.