SCHEMBL14745886

SCHEMBL14745886

COc1ccc(Cn2c3c(c(O)c(C(=O)O)c2=O)CCCc2cc(N(C)C)ccc2-3)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 6/20 0.41
EGLN1 Q9GZT9 5/20 0.39
TSHR P16473 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FEN1 P39748 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL14745574 0.98 EDNRB (0.41) EDNRBEGLN1TSHRMEN1KMT2A
SCHEMBL14745744 0.93 EGLN1 (0.39) EDNRBEGLN1TSHRALDH1A1POLB
SCHEMBL14745965 0.91 EGLN1 (0.39) EDNRBEGLN1TSHRMEN1KMT2A
SCHEMBL16428825 0.85 EDNRB (0.41) EDNRBEGLN1TSHRMEN1KMT2A
SCHEMBL14745374 0.85 TSHR (0.39) EDNRBEGLN1TSHRMEN1KMT2A
SCHEMBL14745818 0.83 KMT2A (0.39) EDNRBEGLN1TSHRMEN1KMT2A
SCHEMBL14746276 0.81 EGLN1 (0.40) EDNRBEGLN1TSHRMEN1KMT2A
SCHEMBL14745792 0.81 GABRG2 (0.44) EGLN1TSHRMEN1KMT2AALDH1A1
SCHEMBL16429014 0.80 EDNRB (0.39) EDNRBEGLN1TSHRMEN1KMT2A
SCHEMBL14745643 0.80 TSHR (0.38) EDNRBEGLN1TSHRMEN1KMT2A

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 3885/4885EGLN1 712/4885TSHR 4837/4885

“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.