SCHEMBL1505501

SCHEMBL1505501

COC(=O)c1ccc(-c2nnc(-c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3)o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 2/20 0.64
CTNNB1 P35222 2/20 0.64
PTPN2 P17706 3/20 0.57
PTPN1 P18031 3/20 0.57
PTPN5 P54829 3/20 0.57
HSPD1 P10809 2/20 0.57
HSPE1 P61604 2/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
MAPT P10636 5/20 0.51
KDM4E B2RXH2 4/20 0.51
HPGD P15428 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
LMNA P02545 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ALDH1A1 P00352 2/20 0.51
PLAU P00749 1/20 0.51
HTT P42858 1/20 0.51
MAOA P21397 1/20 0.50

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
SCHEMBL1505264 0.90 NPC1 (0.58) TCF4CTNNB1PTPN2PTPN1PTPN5
SCHEMBL19132170 0.86 PTPN2 (0.63) PTPN2PTPN1PTPN5NPC1RAB9A
SCHEMBL12918700 0.80 TDP1 (0.65) NPC1RAB9ARXFP1MAPTKDM4E
SCHEMBL31681206 0.79 TCF4 (0.76) TCF4CTNNB1MAPTKDM4EHPGD
SCHEMBL16116948 0.79 TCF4 (1.00) TCF4CTNNB1MAPTKDM4ENPSR1
SCHEMBL31253926 0.79 TCF4 (1.00) TCF4CTNNB1MAPTKDM4ENPSR1
SCHEMBL5925553 0.76 MAPT (0.72) TCF4CTNNB1MAPTHPGDLMNA
SCHEMBL12948096 0.76 RAB9A (0.52) NPC1RAB9ARXFP1MAPTKDM4E
SCHEMBL5202186 0.74 NPC1 (0.68) PTPN1NPC1RAB9AMAPTKDM4E
SCHEMBL1505173 0.74 MECP2 (0.60) NPC1RAB9ARXFP1MAPTKDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2017-07-20 US disclosed
US-9611230-B2 1,3,4-oxadiazole benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2017-04-04 US disclosed
EP-3067053-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2016-09-14 EP disclosed
EP-1815206-B1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS INC (US) 2016-04-06 EP disclosed
EP-2939674-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2015-11-04 EP disclosed
EP-2311455-A1 Compounds for nonsense suppression, and methods for their use PTC Therapeutics, Inc. (US) 2011-04-20 EP disclosed
EP-2301536-A1 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2011-03-30 EP disclosed
EP-2301538-A1 Compounds for nonsense suppression, and methods for their use PTC Therapeutics, Inc. (US) 2011-03-30 EP disclosed
US-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use PCT THERAPEUTICS, INC. (US) 2009-10-08 US disclosed
EP-1815206-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2007-08-08 EP disclosed
WO-2006044456-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2006-04-27 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 (2 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-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 TCF4 1715/4885CTNNB1 3704/4885PTPN2 3071/4885
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE NSUN2, UPF1, NSUN3 TCF4 1715/4885CTNNB1 3704/4885PTPN2 3071/4885

“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.