SCHEMBL14745201

SCHEMBL14745201

CC(C)c1c(-c2ccc3c(ccn3C)c2)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 3/20 0.40
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
HSD11B1 P28845 1/20 0.37
AR P10275 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HSP90B1 P14625 1/20 0.36
TRAP1 Q12931 1/20 0.36
PRKAA2 P54646 2/20 0.35
PRKAB1 Q9Y478 2/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA1 Q13131 1/20 0.35
FASN P49327 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
BRD4 O60885 2/20 0.35
CREBBP Q92793 2/20 0.35
PRKAG2 Q9UGJ0 1/20 0.34
CYP2A6 P11509 1/20 0.34
LDHA P00338 2/20 0.34

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
SCHEMBL14744848 0.88 PTGER3 (0.39) PTGER3CCNCCDK8ARHSP90AA1
SCHEMBL17597637 0.85 PRKCI (0.40) PTGER3CCNCCDK8HSD11B1AR
SCHEMBL14741235 0.85 PRKAB1 (0.40) PTGER3CCNCCDK8HSD11B1AR
Hydrochloric Acid SCHEMBL17597590 0.84 PRKCI (0.39) PTGER3CCNCCDK8HSD11B1AR
SCHEMBL14745226 0.83 TUBB4A (0.43) PTGER3CCNCCDK8HSD11B1AR
SCHEMBL14745471 0.83 PTGER3 (0.37) PTGER3CCNCCDK8HSD11B1AR
SCHEMBL14741310 0.83 FASN (0.39) PTGER3CCNCCDK8HSD11B1AR
SCHEMBL14757902 0.83 CCNC (0.38) PTGER3CCNCCDK8HSD11B1AR
SCHEMBL14758198 0.82 CYP2A6 (0.42) PTGER3CCNCCDK8HSD11B1AR
SCHEMBL14740919 0.81 CCNC (0.38) PTGER3CCNCCDK8HSD11B1AR

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
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO 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

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 3900/4885CCNC 3662/4885CDK8 4350/4885

“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.