SCHEMBL16568280

SCHEMBL16568280

CCc1c(-c2ccc(C3CCN(C)CC3)cc2)[nH]c(=O)c(C(=O)OC)c1O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 10/20 0.40
TLR7 Q9NYK1 10/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TLR8 Q9NR97 6/20 0.39
EGFR P00533 1/20 0.38
PARP1 P09874 4/20 0.37
TNKS O95271 3/20 0.37
TNKS2 Q9H2K2 3/20 0.37
QDPR P09417 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
BRD9 Q9H8M2 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
SCHEMBL14741074 0.89 TLR9 (0.42) TLR9TLR7TLR8PARP1TNKS
SCHEMBL14741031 0.80 TLR9 (0.43) TLR9TLR7TLR8
SCHEMBL14745803 0.79 DCTPP1 (0.40) TLR9TLR7LMNAGAAMAPT
SCHEMBL14745449 0.78 GAA (0.38) TLR9TLR7LMNAGAAMAPT
SCHEMBL16428749 0.77 NOTUM (0.39) TLR9TLR7LMNAGAAMAPT
SCHEMBL14745164 0.76 KCNH2 (0.37) TLR9TLR7LMNAGAAMAPT
SCHEMBL16568432 0.76 TLR9 (0.47) TLR9TLR7TLR8PARP1TNKS
SCHEMBL14744922 0.75 PARP1 (0.38) LMNAGAAMAPTPARP1
SCHEMBL16441003 0.74 S1PR1 (0.33) TLR9TLR7LMNAGAAMAPT
SCHEMBL14745380 0.73 QDPR (0.41) TLR9TLR7LMNAGAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US disclosed
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US 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-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP TLR9 392/4885TLR7 702/4885LMNA 2119/4885

“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.