SCHEMBL14745963

SCHEMBL14745963

CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCCC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.43
IP6K1 Q92551 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
PARP1 P09874 3/20 0.40
LMNA P02545 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
TTR P02766 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KIF11 P52732 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL14745278 0.99 IP6K1 (0.42) GRK6IP6K1MRGPRX4PARP1LMNA
SCHEMBL14745697 0.88 MRGPRX4 (0.44) IP6K1MRGPRX4LMNAALDH1A1MAPT
SCHEMBL14747050 0.87 MRGPRX4 (0.44) IP6K1MRGPRX4LMNAALDH1A1MAPT
SCHEMBL16577237 0.86 MYC (0.38)
SCHEMBL14745127 0.86 MYC (0.38)
SCHEMBL14745683 0.85 HIF1A (0.42) IP6K1MRGPRX4LMNAALDH1A1MAPT
SCHEMBL16577235 0.85 PARP1 (0.35) GRK6IP6K1MRGPRX4PARP1LMNA
SCHEMBL17595039 0.85 PARP1 (0.35) GRK6IP6K1MRGPRX4PARP1LMNA
SCHEMBL17595038 0.85 PARP1 (0.35) GRK6IP6K1MRGPRX4PARP1LMNA
SCHEMBL14741042 0.84 DHODH (0.44) IP6K1PARP1LMNAALDH1A1MAPT

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
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
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
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 GRK6 3171/4885IP6K1 2562/4885MRGPRX4 3960/4885

“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.