SCHEMBL14745244

SCHEMBL14745244

CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2C[C@@H](O)[C@@H](O)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 5/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
GAA P10253 3/20 0.35
PHGDH O43175 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
GRIK1 P39086 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
GRIK2 Q13002 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
SCHEMBL14745248 0.94 KCNH2 (0.36) KCNH2PDE3BPDE3ACNR2KDM4E
SCHEMBL14758583 0.94 KCNH2 (0.33) KCNH2PDE3BPDE3ACNR2KDM4E
SCHEMBL16568103 0.94 KCNH2 (0.33) KCNH2PDE3BPDE3ACNR2KDM4E
SCHEMBL14758585 0.94 KCNH2 (0.33) KCNH2PDE3BPDE3ACNR2KDM4E
SCHEMBL16567836 0.94 KCNH2 (0.33) KCNH2PDE3BPDE3ACNR2KDM4E
Hydrochloric Acid SCHEMBL14745286 0.93 KCNH2 (0.33) KCNH2PDE3BPDE3ACNR2KDM4E
SCHEMBL14745375 0.91 PDE3B (0.37) KCNH2PDE3BPDE3ACNR2KDM4E
SCHEMBL14741158 0.91 KCNH2 (0.35) KCNH2PDE3BPDE3ACNR2KDM4E
Trifluoroacetic Acid SCHEMBL14745071 0.89 DPP4 (0.35) KCNH2PDE3BPDE3APARP1PARP2
SCHEMBL14758802 0.89 CHRNA7 (0.36) KCNH2PDE3BPDE3ACNR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US claimed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP claimed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed
US-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US disclosed
WO-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO 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
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 KCNH2 3306/4885PDE3B 2942/4885PDE3A 2531/4885

“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.