SCHEMBL1504647

SCHEMBL1504647

COC(=O)c1cccc(-c2nsc(=O)o2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 9/20 0.61
PSMB11 A5LHX3 1/20 0.61
PSMD11 O00231 1/20 0.61
PSMD12 O00232 1/20 0.61
PSMD14 O00487 1/20 0.61
PSMA7 O14818 1/20 0.61
PSMD3 O43242 1/20 0.61
PSMC3 P17980 1/20 0.61
PSMB1 P20618 1/20 0.61
PSMA1 P25786 1/20 0.61
PSMA2 P25787 1/20 0.61
PSMA3 P25788 1/20 0.61
PSMA4 P25789 1/20 0.61
PSMB9 P28065 1/20 0.61
PSMA5 P28066 1/20 0.61
PSMB4 P28070 1/20 0.61
PSMB6 P28072 1/20 0.61
PSMB5 P28074 1/20 0.61
PSMC2 P35998 1/20 0.61
PSMB10 P40306 1/20 0.61

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
SCHEMBL67941 0.75 CA12 (0.68) RAB9AGABRG2GABRB3GABRA5GABRA3
SCHEMBL26665257 0.74 KDM4E (0.59) NPC1RAB9AGABRG2GABRB3GABRA5
SCHEMBL27715902 0.74 CA12 (0.71) GABRG2GABRB3GABRA5GABRA3CA12
SCHEMBL31420315 0.73 CDK8 (0.47) GABRG2GABRB3GABRA5GABRA3CA12
SCHEMBL12754449 0.73 GPR119 (0.53) NPC1RAB9AGPR119GABRG2GABRB3
SCHEMBL6434655 0.72 GLRA3 (0.62) NPC1RAB9AGABRG2GABRB3GABRA5
SCHEMBL28605620 0.72 KDM4E (0.74) NPC1RAB9AGPR119
SCHEMBL31247990 0.72 KDM4E (0.74) NPC1RAB9AGPR119
SCHEMBL1429971 0.72 NPC1 (0.60) NPC1RAB9AVDR
SCHEMBL6165586 0.72 NOTUM (0.54) NPC1RAB9AGABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758485-B2 Compounds for controlling arthropods BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-12 US disclosed
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
US-20160297765-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS ELANCO ANIMAL HEALTH GMBH (DE) 2016-10-13 US disclosed
US-20160278379-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS ELANCO ANIMAL HEALTH GMBH (DE) 2016-09-29 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 (4 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 PSMB8 1127/4885PSMB11 550/4885PSMD11 645/4885
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE NSUN2, UPF1, NSUN3 PSMB8 1127/4885PSMB11 550/4885PSMD11 645/4885
US-20160278379-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS CYP4X1, CYP4B1, SERPINB6 PSMB8 2144/4885PSMB11 620/4885PSMD11 1537/4885
US-20160297765-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS CYP4X1, CYP4B1, SERPINB6 PSMB8 2144/4885PSMB11 620/4885PSMD11 1537/4885

“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.