SCHEMBL14744839

SCHEMBL14744839

CCc1c(-c2ccc3c(c2)cc(CN2CCC(C)CC2)n3C)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
FAAH O00519 1/20 0.35
MCHR1 Q99705 2/20 0.35
MAOA P21397 2/20 0.33
MAPT P10636 1/20 0.32
HDAC1 Q13547 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
LMNA P02545 1/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TLR9 Q9NR96 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
TLR8 Q9NR97 1/20 0.31
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
Hydrochloric Acid SCHEMBL17597936 0.99 ALDH1A1 (0.37) ALDH1A1GAAPOLBTSHRFAAH
SCHEMBL14745093 0.94 ENPP2 (0.36) ALDH1A1GAAPOLBTSHRFAAH
Hydrochloric Acid SCHEMBL17597604 0.93 ENPP2 (0.35) ALDH1A1GAAPOLBTSHRFAAH
SCHEMBL14744982 0.93 BAZ2A (0.37) ALDH1A1GAAPOLBTSHRFAAH
SCHEMBL14745175 0.93 MCHR1 (0.38) ALDH1A1GAAPOLBTSHRFAAH
Hydrochloric Acid SCHEMBL17597198 0.93 BAZ2A (0.36) ALDH1A1GAAPOLBTSHRFAAH
SCHEMBL14741232 0.92 MCHR1 (0.36) GAAFAAHMCHR1TLR9TLR7
SCHEMBL14744908 0.92 MCHR1 (0.38) GAAFAAHMCHR1KDM4ETLR9
Hydrochloric Acid SCHEMBL17597385 0.92 MCHR1 (0.38) ALDH1A1GAAPOLBTSHRFAAH
SCHEMBL14740975 0.92 TLR9 (0.37) ALDH1A1GAAPOLBTSHRFAAH

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 16 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
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
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 3792/4885GAA 91/4885POLB 84/4885

“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.