SCHEMBL14758147

SCHEMBL14758147

CCCCOc1nc(-c2ccc3c(c2)c(C#N)c(N2CCCC2)n3C)c(CC)c(OCCCC)c1C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.37
MAPK9 P45984 2/20 0.37
CNR1 P21554 2/20 0.35
ALDH1A1 P00352 4/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA1 P30542 1/20 0.33
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
MAP4K2 Q12851 1/20 0.32
PKN2 Q16513 1/20 0.32
MAP4K5 Q9Y4K4 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ESR1 P03372 2/20 0.32
MEN1 O00255 2/20 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
SCHEMBL14758209 0.92 MAPK8 (0.36) MAPK8MAPK9ALDH1A1HPGDTSHR
SCHEMBL14758124 0.88 CNR1 (0.39) MAPK8MAPK9CNR1ALDH1A1HPGD
SCHEMBL14745357 0.87 AS3MT (0.38) CNR1ALDH1A1HPGDTSHRCASP1
SCHEMBL14757800 0.81 XDH (0.36) MAPK8MAPK9CNR1
SCHEMBL14745116 0.80 AS3MT (0.39) CNR1ALDH1A1HPGDTSHRCASP1
SCHEMBL14758264 0.77 CNR1 (0.43) CNR1PLA2G2A
SCHEMBL14757928 0.76 CNR1 (0.40) CNR1PLA2G2A
SCHEMBL14745735 0.75 CNR1 (0.40) CNR1ALDH1A1HPGDPLA2G2AKDM4E
SCHEMBL14757813 0.73 XDH (0.38)
SCHEMBL14745159 0.68 IMPDH2 (0.42) CNR1HPGDLMNATDP1MAPT

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 3 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
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 MAPK8 3831/4885MAPK9 3650/4885CNR1 4586/4885

“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.