SCHEMBL60692

SCHEMBL60692

COc1ccc(-c2nc(-c3cccc(C(=O)O)c3)no2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.68
S1PR1 P21453 1/20 0.68
NPC1 O15118 8/20 0.63
RAB9A P51151 8/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
SMN1; SMN2 Q16637 4/20 0.58
TP53 P04637 2/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 4/20 0.57
MAOA P21397 1/20 0.57
BLVRB P30043 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL1430178 0.95 NR1H4 (0.68) NR1H4S1PR1NPC1RAB9AL3MBTL1
SCHEMBL59673 0.90 NPC1 (0.73) NR1H4NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL1427471 0.90 NPC1 (0.73) NR1H4NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL59247 0.86 RAB9A (0.72) NR1H4NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL60427 0.86 NPC1 (0.76) NR1H4NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL60781 0.86 SMN1; SMN2 (0.69) NR1H4NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL59426 0.85 NPC1 (0.67) NR1H4NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL1430356 0.85 NR1H4 (0.73) NR1H4S1PR1NPC1RAB9ASMN1; SMN2
SCHEMBL14072336 0.84 NPC1 (0.61) NR1H4S1PR1NPC1RAB9AL3MBTL1
SCHEMBL17336565 0.84 NPC1 (0.72) NR1H4NPC1RAB9AL3MBTL1SMN1; SMN2

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 156 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9205088-B2 Compositions of 1,2,4-oxadiazol benzoic acid compounds and methods for their use PTC THERAPEUTICS, INC. (US) 2015-12-08 US claimed
US-20150148346-A1 COMPOSITIONS OF 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND METHODS FOR THEIR USE PTC THERAPEUTICS INC. (US) 2015-05-28 US claimed
US-8975287-B2 Methods for using 1,2,4-Oxadiazole benzoic acid compounds PTC THERAPEUTICS, INC. (US) 2015-03-10 US claimed
EP-1618098-B1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2014-11-19 EP claimed
US-20140301978-A1 METHODS FOR USING 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS PTC THERAPEUTICS INC. (US) 2014-10-09 US claimed
US-8486982-B2 1,2,4-oxadiazole benzoic acids PTC THERAPEUTICS, INC. (US) 2013-07-16 US claimed
US-20120277234-A1 1,2,4-OXADIAZOLE BENZOIC ACIDS PTC THERAPEUTICS, INC. 2012-11-01 US claimed
US-8299105-B2 1,2,4-oxadiazole benzoic acid compositions and their use in bioassays PTC THERAPEUTICS, INC. (US) 2012-10-30 US claimed
US-8227494-B2 Pharmaceutical compositions of 1,2,4-oxadiazole benzoic acid and their use for the treatment of disease PTC THERAPEUTICS, INC. (US) 2012-07-24 US claimed
US-20120178080-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOSITIONS AND THEIR USE IN BIOASSAYS PTC THERAPEUTICS, INC. 2012-07-12 US claimed
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-07-14 US claimed
EP-2300442-A2 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-03-30 EP claimed
US-20100216851-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOSITIONS AND THEIR USE IN BIOASSAYS PTC THERAPEUTICS, INC. 2010-08-26 US claimed
US-20100168109-A1 PHARMACEUTICAL COMPOSITIONS OF 1,2,4-OXADIAZOLE BENZOIC ACID AND THEIR USE FOR THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. 2010-07-01 US claimed
US-7683082-B2 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid; translation of mRNA is allowed to continue past a nonsense mutation point, resulting in full length protein; genetic disorders; testing whether a compound increases activity of a protein encoded by an mRNA that contains a premature stop codon PTC THERAPEUTICS, INC. (US) 2010-03-23 US claimed
WO-2010008831-A2 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-01-21 WO claimed
US-20070161687-A1 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid; translation of mRNA is allowed to continue past a nonsense mutation point, resulting in full length protein; genetic disorders; testing whether a compound increases activity of a protein encoded by an mRNA that contains a premature stop codon PTC THERAPEUTICS, INC. 2007-07-12 US claimed
US-7202262-B2 E.g., 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid; translation of mRNA is allowed to continue past a nonsense mutation point, resulting in the production of a full length protein; genetic disorders PTC THERAPEUTICS, INC. (US) 2007-04-10 US claimed
US-6992096-B2 translation of mRNA is allowed to continue past a nonsense mutation point, resulting in the production of a full length protein; genetic disorders; 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid PTC THERAPEUTICS, INC. (US) 2006-01-31 US claimed
US-20040204461-A1 translation of mRNA is allowed to continue past a nonsense mutation point, resulting in the production of a full length protein; genetic disorders; 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid PTC THERAPEUTICS, INC. 2004-10-14 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20120277234-A1 1,2,4-OXADIAZOLE BENZOIC ACIDS UPF1, RIOX2, RPL35A NR1H4 1875/4885S1PR1 4449/4885NPC1 1568/4885
US-20100168109-A1 PHARMACEUTICAL COMPOSITIONS OF 1,2,4-OXADIAZOLE BENZOIC ACID AND THEIR USE FOR THE TREATMENT OF DISEASE UPF1, RIOX2, PABPC1 NR1H4 1374/4885S1PR1 4131/4885NPC1 448/4885
US-20140301978-A1 METHODS FOR USING 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS UPF1, RIOX2, RNMT NR1H4 2011/4885S1PR1 4378/4885NPC1 1406/4885
US-20150148346-A1 COMPOSITIONS OF 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND METHODS FOR THEIR USE UPF1, RIOX2, RNMT NR1H4 2237/4885S1PR1 4418/4885NPC1 1473/4885
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS GRK2, GRK3, GPR3 NR1H4 150/4885S1PR1 512/4885NPC1 856/4885
US-20100216851-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOSITIONS AND THEIR USE IN BIOASSAYS UPF1, RIOX2, RNGTT NR1H4 2001/4885S1PR1 4537/4885NPC1 1552/4885
US-20070161687-A1 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid; translation of mRNA is allowed to continue past a nonsense mutation point, resulting in full length protein; genetic disorders; testing whether a compound increases activity of a protein encoded by an mRNA that contains a premature stop codon UPF1, PABPC4, PABPC1 NR1H4 4111/4885S1PR1 4794/4885NPC1 2724/4885
US-20040204461-A1 translation of mRNA is allowed to continue past a nonsense mutation point, resulting in the production of a full length protein; genetic disorders; 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid UPF1, PABPC1, PABPC4 NR1H4 4001/4885S1PR1 4769/4885NPC1 2171/4885

“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.