SCHEMBL1505233

SCHEMBL1505233

COC(=O)c1ccc(-c2ncc(-c3ccc(F)cc3F)o2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
RAB9A P51151 7/20 0.59
NPC1 O15118 6/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 4/20 0.59
HPGD P15428 4/20 0.59
TP53 P04637 3/20 0.59
GAA P10253 3/20 0.59
GLA P06280 2/20 0.59
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAP2K4 P45985 1/20 0.45
LMNA P02545 2/20 0.44
ALPL P05186 1/20 0.44
HSD17B10 Q99714 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42

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
SCHEMBL1505182 0.85 MAP4K4 (0.48) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3744170 0.79 PTGS1 (0.57) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12171884 0.79 NPC1 (0.48) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12797830 0.78 SLC9A1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL19132181 0.77 ALOX15 (0.56) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3377076 0.76 RAB9A (0.68) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL16900687 0.76 NPC1 (0.48) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12171610 0.76 ALPL (0.51) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12171851 0.76 MAP4K4 (0.48) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12171800 0.75 MAOA (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E

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 12 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-B1 Compounds for nonsense suppression, and methods for their use PTC THERAPEUTICS INC (US) 2015-07-15 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 MAPT 3781/4885RAB9A 2618/4885NPC1 732/4885
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE NSUN2, UPF1, NSUN3 MAPT 3781/4885RAB9A 2618/4885NPC1 732/4885

“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.