SCHEMBL14745697

SCHEMBL14745697

CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCCC2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.44
IP6K1 Q92551 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PSMD14 O00487 1/20 0.39
USP2 O75604 1/20 0.39
MMP2 P08253 1/20 0.39
KIF11 P52732 2/20 0.39
HSD17B10 Q99714 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
HPGD P15428 3/20 0.38
GFER P55789 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
EZH2 Q15910 1/20 0.37
TNNI3 P19429 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
SCHEMBL14747050 0.99 MRGPRX4 (0.44) MRGPRX4IP6K1LMNAALDH1A1L3MBTL1
SCHEMBL14745963 0.88 GRK6 (0.43) MRGPRX4IP6K1LMNAALDH1A1L3MBTL1
SCHEMBL14745278 0.87 IP6K1 (0.42) MRGPRX4IP6K1LMNAALDH1A1L3MBTL1
SCHEMBL14745683 0.86 HIF1A (0.42) MRGPRX4IP6K1LMNAALDH1A1L3MBTL1
SCHEMBL14741042 0.85 DHODH (0.44) IP6K1LMNAALDH1A1L3MBTL1KIF11
SCHEMBL14745618 0.85 ALDH1A1 (0.42) MRGPRX4IP6K1LMNAALDH1A1L3MBTL1
SCHEMBL14745092 0.84 PARP1 (0.43) MRGPRX4IP6K1LMNAALDH1A1L3MBTL1
SCHEMBL14741099 0.81 PARP1 (0.41) MRGPRX4IP6K1LMNAALDH1A1L3MBTL1
SCHEMBL14745179 0.81 POLB (0.42) LMNAALDH1A1L3MBTL1MAPTALOX15
SCHEMBL14745409 0.80 GFER (0.39) MRGPRX4ALDH1A1L3MBTL1PSMD14USP2

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 15 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
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 MRGPRX4 3960/4885IP6K1 2562/4885LMNA 2119/4885

“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.