SCHEMBL14745846

SCHEMBL14745846

CCN(CCc1cc2cc3c(cc2n1C)C=CCc1c(O)c(C(=O)OC)c(=O)n(Cc2ccc(OC)cc2OC)c1-3)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.32
EDNRB P24530 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL14746260 0.94 EDNRB (0.36) P2RX3EDNRB
SCHEMBL14746023 0.87 P2RX3 (0.34) P2RX3EDNRBALDH1A1MAPTEGLN1
SCHEMBL14745442 0.86 EGLN1 (0.35) EDNRBALDH1A1LMNAMAPTEGLN1
SCHEMBL14746131 0.83 TSHR (0.35) EDNRBALDH1A1LMNAMAPT
SCHEMBL14746104 0.83 EGLN1 (0.33) EDNRBALDH1A1LMNAMAPTEGLN1
SCHEMBL14745686 0.81 EDNRB (0.35) P2RX3EDNRBALDH1A1MAPTEGLN1
SCHEMBL14745587 0.80 TSHR (0.31) P2RX3EDNRBALDH1A1MAPTEGLN1
SCHEMBL14745586 0.80 TSHR (0.31) P2RX3EDNRBALDH1A1MAPTEGLN1
SCHEMBL14745699 0.80 EDNRB (0.40) EDNRBEGLN1
SCHEMBL18628123 0.79 EDNRB (0.38) EDNRBALDH1A1LMNAMAPT

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 3885/4885ALDH1A1 3792/4885

“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.