SCHEMBL14745782

SCHEMBL14745782

CCc1c(-c2ccc3c(c2)c2c(n3C)CCCC2)[nH]c(=O)c(C(=O)OC)c1O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
USP2 O75604 1/20 0.42
TLR9 Q9NR96 3/20 0.38
TLR7 Q9NYK1 3/20 0.38
TLR8 Q9NR97 2/20 0.38
HSD17B10 Q99714 1/20 0.37
GAA P10253 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
SCARB1 Q8WTV0 1/20 0.36
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 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
SCHEMBL14745445 0.90 ALOX5 (0.45) ALOX5PTGS1PTGS2TLR9TLR7
SCHEMBL14757868 0.83 ALOX5 (0.42) ALOX5PTGS1PTGS2HSD17B10SCARB1
SCHEMBL14744821 0.82 MAPT (0.39) TLR9TLR7TLR8HSD17B10GAA
SCHEMBL14744799 0.78 KDM4E (0.40) HSD17B10GAALMNAMAPTKDM4E
SCHEMBL14757846 0.78 ALDH1A1 (0.42) GAALMNAMAPTKDM4EHTT
SCHEMBL14744739 0.76 CD274 (0.37) GAALMNAMAPTKDM4E
SCHEMBL14745645 0.76 MAPT (0.39) USP2TLR9TLR7TLR8GAA
SCHEMBL14746093 0.76 ALOX5 (0.45) ALOX5PTGS1PTGS2HSD17B10SCARB1
SCHEMBL14745164 0.75 KCNH2 (0.37) USP2TLR9TLR7TLR8HSD17B10
SCHEMBL16428749 0.75 NOTUM (0.39) USP2TLR9TLR7TLR8GAA

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 4 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-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 ALOX5 1958/4885PTGS1 1374/4885PTGS2 1727/4885

“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.