SCHEMBL14745803

SCHEMBL14745803

CCc1c(-c2ccc(N3CCC3)cc2)[nH]c(=O)c(C(=O)OC)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.40
USP2 O75604 1/20 0.39
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TLR9 Q9NR96 3/20 0.37
TLR8 Q9NR97 3/20 0.37
TLR7 Q9NYK1 3/20 0.37
PKM P14618 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
POLB P06746 1/20 0.35
CNR2 P34972 2/20 0.35
KIF11 P52732 1/20 0.35
CNR1 P21554 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL14745449 0.90 GAA (0.38) DCTPP1USP2KCNH2LMNAGAA
SCHEMBL14745174 0.88 KCNH2 (0.40) DCTPP1USP2KCNH2MAPTTLR9
SCHEMBL14747044 0.85 KIF11 (0.41) KCNH2LMNAMAPTPARP1PARP2
SCHEMBL14745564 0.84 KIF11 (0.42) KCNH2PARP1PARP2SIRT2SIRT1
SCHEMBL17594871 0.82 ALDH1A1 (0.39) KCNH2LMNAMAPTTLR9TLR8
SCHEMBL17594971 0.81 LMNA (0.39) KCNH2LMNAMAPTPKMPARP1
SCHEMBL14745107 0.79 KCNH2 (0.40) USP2KCNH2LMNAGAAMAPT
SCHEMBL16568280 0.79 TLR9 (0.40) LMNAGAAMAPTTLR9TLR8
SCHEMBL14746226 0.79 KCNH2 (0.42) DCTPP1USP2KCNH2TLR9TLR8
SCHEMBL14758613 0.79 TLR9 (0.42) USP2KCNH2TLR9TLR8TLR7

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
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
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033240-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-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP DCTPP1 200/4885USP2 2752/4885KCNH2 3306/4885

“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.