SCHEMBL14745877

SCHEMBL14745877

CCCC(=O)c1ccc2c(c1)cc(CCO[Si](C)(C)C(C)(C)C)n2C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.35
GAA P10253 2/20 0.35
DUT P33316 2/20 0.34
DGAT1 O75907 2/20 0.33
NPC1 O15118 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSD17B3 P37058 1/20 0.33
NR1H2 P55055 1/20 0.33
PPARA Q07869 1/20 0.33
NR1H3 Q13133 1/20 0.33
RAB9A P51151 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
THRA P10827 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL14745203 0.89 HSD17B3 (0.37) HPGDGAANPC1MEN1KMT2A
SCHEMBL16440999 0.81 HSD17B3 (0.42) HPGDGAANPC1MEN1KMT2A
SCHEMBL14745543 0.80 SIGMAR1 (0.34) HPGDDUTNPC1RAB9AMAPT
SCHEMBL14745028 0.78 MCL1 (0.40) DUTDGAT1NPC1ALOX15RAB9A
SCHEMBL16440987 0.78 HSD17B3 (0.44) HPGDGAANPC1MEN1KMT2A
SCHEMBL16428689 0.75 MAPT (0.32) GAANPC1MEN1KMT2AKDM4E
SCHEMBL14741305 0.75 MAPT (0.32) GAANPC1MEN1KMT2AKDM4E
SCHEMBL14745668 0.75 HCAR3 (0.40) HPGDNPC1KDM4EHSD17B10RAB9A
SCHEMBL14744974 0.74
SCHEMBL14744975 0.74

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 HPGD 1279/4885GAA 91/4885DUT 729/4885

“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.