SCHEMBL14745233

SCHEMBL14745233

CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCC(F)(F)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.40
HDAC4 P56524 1/20 0.39
JAK2 O60674 2/20 0.38
USP2 O75604 5/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 3/20 0.34
MAPK1 P28482 3/20 0.34
CYP2C19 P33261 2/20 0.34
ALOX12 P18054 1/20 0.34
ALOX5AP P20292 2/20 0.34
CYP3A4 P08684 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALOX15 P16050 1/20 0.34
PDE2A O00408 1/20 0.34
DHODH Q02127 1/20 0.33

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
SCHEMBL14741320 0.88 USP2 (0.34) MGLLUSP2ALDH1A1HPGDHSD17B10
SCHEMBL14758917 0.87 PTPN11 (0.36) MGLLUSP2ALDH1A1HPGDHSD17B10
SCHEMBL14745192 0.87 USP2 (0.36) MGLLUSP2ALDH1A1HPGDHSD17B10
SCHEMBL14745041 0.85 ALDH1A1 (0.34) MGLLUSP2ALDH1A1HPGDHSD17B10
Trifluoroacetic Acid SCHEMBL14745308 0.84 KCNH2 (0.34) MGLLUSP2ALDH1A1HPGDHSD17B10
SCHEMBL14745092 0.83 PARP1 (0.43) ALDH1A1HPGDHSD17B10SMN1; SMN2ALOX15
SCHEMBL14741099 0.83 PARP1 (0.41) ALDH1A1HPGDHSD17B10DHODHPARP1
SCHEMBL14741042 0.82 DHODH (0.44) ALDH1A1CYP1A2MAPK1CYP2C19CYP3A4
SCHEMBL14745094 0.82 PDE3B (0.40) USP2ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL14740829 0.81 SLC16A3 (0.45) ALDH1A1HPGDHSD17B10MEN1KMT2A

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 13 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
CN-103889223-A Antibacterial compounds and methods for use PTC THERAPEUTICS INC 2014-06-25 CN 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
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
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 MGLL 340/4885HDAC4 1910/4885JAK2 4329/4885

“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.