SCHEMBL14745552

SCHEMBL14745552

CCc1c(-c2ccc3ccn(C)c3c2)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.36
CYP2A6 P11509 1/20 0.33
CTSA P10619 1/20 0.33
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
MPL P40238 1/20 0.32
FAAH O00519 1/20 0.31
ERCC1 P07992 1/20 0.31
ERCC4 Q92889 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CFTR P13569 1/20 0.31
BRD4 O60885 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
PFKFB3 Q16875 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL17597693 0.92 PTGER3 (0.32) PTGER3SLC16A3SLC16A1MPL
SCHEMBL14745471 0.91 PTGER3 (0.37) PTGER3CYP2A6BRD4
SCHEMBL14746072 0.89 KDM4E (0.37) PTGER3CTSAERCC1ERCC4PTPN1
SCHEMBL14741053 0.84 ERCC1 (0.49) SLC16A3SLC16A1ERCC1ERCC4
SCHEMBL17597694 0.83 PTGER3 (0.31) PTGER3SLC16A3SLC16A1
SCHEMBL17598056 0.82 CHRNA7 (0.31)
SCHEMBL14745804 0.82 TUBB4A (0.36) PTGER3FAAH
SCHEMBL14745245 0.81 MTNR1A (0.35) MPL
SCHEMBL14744739 0.80 CD274 (0.37) PTGER3BRD4
SCHEMBL27972940 0.80 CYP11B1 (0.31) MPL

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 16 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 claimed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US claimed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP claimed
CN-103889224-A ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC 2014-06-25 CN claimed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 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
CN-103889224-A ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC 2014-06-25 CN disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO 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 PTGER3 3900/4885CYP2A6 3494/4885CTSA 66/4885

“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.