SCHEMBL14744868

SCHEMBL14744868

CCc1c(O)c(C(=O)OC)c(=O)n(Cc2ccc(OC)cc2OC)c1-c1ccc2c(c1)cc1n2CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
P2RX3 P56373 1/20 0.36
AADAT Q8N5Z0 1/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.33
EDNRB P24530 3/20 0.33
CD274 Q9NZQ7 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX2 P34913 1/20 0.32
STS P08842 1/20 0.32
MGAT2 Q10469 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
TTK P33981 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL14745171 0.84 MAPT (0.37) P2RX3AADATHTTMEN1KMT2A
SCHEMBL16568228 0.81 HTT (0.43) AADATHTTMEN1KMT2AMAPT
SCHEMBL14744869 0.80 AADAT (0.35) AADATMEN1KMT2AMAPTEDNRB
SCHEMBL14744918 0.78 AADAT (0.38) P2RX3AADATHTTMEN1KMT2A
SCHEMBL14744693 0.77 L3MBTL1 (0.38) MAPTEDNRBALDH1A1
SCHEMBL14744705 0.75 EDNRB (0.34) MAPTEDNRBALDH1A1
SCHEMBL16568122 0.75 MEN1 (0.41) P2RX3HTTMEN1KMT2AMAPT
SCHEMBL4055137 0.73 NR1H2 (0.56) NR1H2HTTMEN1KMT2AMAPT
SCHEMBL14745108 0.71 P2RX3 (0.40) P2RX3AADATMEN1KMT2AMAPT
SCHEMBL14745148 0.71 MAPT (0.40) P2RX3AADATHTTMEN1KMT2A

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-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP NR1H2 3290/4885P2RX3 3360/4885AADAT 1779/4885

“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.