SCHEMBL14745577

SCHEMBL14745577

CCc1cc(C(=O)OC)c(OC)nc1-c1ccc2c(c1)cc([C@@H]1CCCN1C(=O)OC(C)(C)C)n2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
JAK2 O60674 2/20 0.35
UCHL1 P09936 1/20 0.35
USP30 Q70CQ3 1/20 0.35
TSHR P16473 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL14757734 1.00 ALDH1A1 (0.36) ALDH1A1LMNATP53GLAMEN1
SCHEMBL14745575 1.00 ALDH1A1 (0.36) ALDH1A1LMNATP53GLAMEN1
SCHEMBL14744890 0.93 ALDH1A1 (0.35) ALDH1A1LMNATP53GLAMEN1
SCHEMBL14747046 0.86 PKM (0.36) ALDH1A1JAK2USP30MAPTKDM4E
SCHEMBL14741029 0.82 PKM (0.34) ALDH1A1JAK2USP30MAPTHTT
SCHEMBL16440994 0.82 CNR1 (0.39) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL16428797 0.78 RCE1 (0.33) LMNATP53MAPTL3MBTL1NPC1
SCHEMBL14745448 0.74 USP30 (0.44) ALDH1A1LMNAMEN1KMT2AUCHL1
SCHEMBL14745267 0.74 USP30 (0.44) ALDH1A1LMNAMEN1KMT2AUCHL1
SCHEMBL14745266 0.74 USP30 (0.44) ALDH1A1LMNAMEN1KMT2AUCHL1

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 8 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 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
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US 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

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 ALDH1A1 3792/4885LMNA 2119/4885TP53 2640/4885

“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.