SCHEMBL14744888

SCHEMBL14744888

Cc1c(-c2ccc3[nH]ncc3c2)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.44
CLK2 P49760 2/20 0.44
CDK5 Q00535 2/20 0.44
DYRK1A Q13627 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
CLK1 P49759 2/20 0.44
DYRK3 O43781 1/20 0.44
CLK3 P49761 1/20 0.44
CDK5R1 Q15078 1/20 0.44
DYRK2 Q92630 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
TRPA1 O75762 4/20 0.43
ROCK2 O75116 5/20 0.42
PIM1 P11309 4/20 0.42
AURKB Q96GD4 3/20 0.42
ROCK1 Q13464 2/20 0.42
CDC7 O00311 2/20 0.42
MAPK13 O15264 1/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42

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
SCHEMBL14745260 0.91 FGFR1 (0.48) CLK2CLK4AURKBPRKD3MAP4K4
SCHEMBL14745084 0.85 TRPA1 (0.48) GSK3BCLK2CDK5DYRK1ACLK4
SCHEMBL14745422 0.81 PTGS2 (0.44) CTNNB1WNT3AAR
SCHEMBL14741245 0.77 CCNC (0.41) GSK3BCLK2DYRK1ACLK3TRPA1
SCHEMBL14745455 0.76 USP7 (0.44) TRPA1FGFR1MKNK2ARTGFBR1
SCHEMBL14745021 0.76 KDM4E (0.43) RIPK2JAK2
SCHEMBL14741117 0.76 MAT2A (0.36) MAPK1
SCHEMBL14745205 0.75 ERCC1 (0.51)
SCHEMBL17597156 0.74 TRPA1 (0.38) GSK3BCDK5CDK5R1TRPA1PIM1
SCHEMBL14740832 0.74 S1PR1 (0.33) KDR

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 14 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
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
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 GSK3B 3565/4885CLK2 2238/4885CDK5 4513/4885

“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.