SCHEMBL14746295

SCHEMBL14746295

COc1ccc(Cn2c3c(c(O)c(C(=O)O)c2=O)CCCc2c-3ccc3c2cc(CO)n3C)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 8/20 0.44
EGLN1 Q9GZT9 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
FEN1 P39748 1/20 0.35
PPARG P37231 1/20 0.35
TP53 P04637 2/20 0.34
USP2 O75604 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
SCHEMBL14746001 0.93 EDNRB (0.39) EDNRBEGLN1KDM4EALDH1A1TSHR
SCHEMBL14745273 0.89 EDNRB (0.43) EDNRBEGLN1KDM4EALDH1A1TSHR
SCHEMBL16429014 0.87 EDNRB (0.39) EDNRBEGLN1ALDH1A1TSHRFEN1
SCHEMBL14746160 0.85 EDNRB (0.39) EDNRBEGLN1ALDH1A1TSHRFEN1
SCHEMBL14746196 0.84 EDNRB (0.40) EDNRBEGLN1ALDH1A1TSHRFEN1
SCHEMBL17895789 0.82 EDNRB (0.43) EDNRBALDH1A1PPARGTP53
SCHEMBL14745742 0.82 EGLN1 (0.35) EDNRBEGLN1KDM4EALDH1A1TP53
SCHEMBL14745779 0.81 EDNRB (0.40) EDNRBEGLN1ALDH1A1TSHRFEN1
SCHEMBL16429219 0.81 EDNRB (0.38) EDNRBEGLN1KDM4EALDH1A1TSHR
SCHEMBL16429314 0.81 EDNRB (0.37) EDNRBEGLN1KDM4EALDH1A1TSHR

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 5 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
WO-2016025933-A2 SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-02-18 WO 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 3885/4885EGLN1 712/4885KDM4E 4305/4885

“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.