SCHEMBL14745698

SCHEMBL14745698

COC(=O)c1c(OCc2ccccc2)c2c(n(Cc3ccc(OC)cc3OC)c1=O)-c1cc3cc(CO)n(C)c3cc1C=CC2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SRD5A1 P18405 1/20 0.34
SRD5A2 P31213 1/20 0.34
AADAT Q8N5Z0 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL14745859 0.90 EDNRB (0.37) EDNRBTSHRTP53ALDH1A1LMNA
SCHEMBL14746154 0.90 EDNRB (0.34) EDNRBTSHRTP53ALDH1A1LMNA
SCHEMBL14746131 0.88 TSHR (0.35) EDNRBTSHRTP53ALDH1A1LMNA
SCHEMBL14745442 0.87 EGLN1 (0.35) EDNRBTSHRTP53ALDH1A1LMNA
SCHEMBL18628127 0.85 EDNRB (0.38) EDNRBTSHRALDH1A1LMNAMAPT
SCHEMBL14745699 0.83 EDNRB (0.40) EDNRBTSHRSMN1; SMN2
SCHEMBL18628123 0.83 EDNRB (0.38) EDNRBTSHRTP53ALDH1A1LMNA
SCHEMBL14746104 0.78 EGLN1 (0.33) EDNRBTSHRALDH1A1LMNAMAPT
SCHEMBL16428920 0.76 TSHR (0.35) EDNRBTSHRTP53ALDH1A1LMNA
SCHEMBL16428921 0.76 TSHR (0.35) EDNRBTSHRTP53ALDH1A1LMNA

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 4837/4885TP53 2640/4885

“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.