SCHEMBL60001

SCHEMBL60001

COc1cc(-c2nc(-c3cccc(C(=O)O)c3)no2)cc(OC)c1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.70
HSD17B10 Q99714 6/20 0.70
TSHR P16473 5/20 0.70
ALDH1A1 P00352 4/20 0.70
HPGD P15428 2/20 0.70
LMNA P02545 1/20 0.70
SMN1; SMN2 Q16637 4/20 0.64
GAA P10253 1/20 0.64
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
NPC1 O15118 5/20 0.60
RAB9A P51151 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 7/20 0.58
NR1H4 Q96RI1 1/20 0.55
MAOA P21397 1/20 0.55
BLVRB P30043 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MAOB P27338 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL60781 0.89 SMN1; SMN2 (0.69) KDM4EHSD17B10TSHRALDH1A1HPGD
SCHEMBL12171141 0.86 KDM4E (0.60) KDM4EHSD17B10TSHRALDH1A1HPGD
SCHEMBL61029 0.83 NPC1 (0.70) KDM4EHSD17B10TSHRALDH1A1HPGD
SCHEMBL60692 0.82 NR1H4 (0.68) LMNASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL59673 0.82 NPC1 (0.73) KDM4EHSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL1427471 0.82 NPC1 (0.73) KDM4EHSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL60427 0.81 NPC1 (0.76) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL31431633 0.81 ERN1 (0.64) LMNAGAAMAOAMAOB
SCHEMBL4121356 0.81 ERN1 (0.64) LMNAGAAMAOAMAOB
SCHEMBL1430178 0.80 NR1H4 (0.68) KDM4EHSD17B10LMNASMN1; SMN2MEN1

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
CN-104056278-A 1,2,4-oxadiazole benzoic acid compounds PTC THERAPEUTICS INC 2014-09-24 CN 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-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
EP-1618098-A4 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PCT THERAPEUTICS INC (US) 2008-07-16 EP 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
CN-1802360-A 1,2, 4-oxadiazole benzoic acid compounds PTC THERAPEUTICS INC (US) 2006-07-12 CN 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
EP-1618098-A2 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PCT Therapeutics Inc. (US) 2006-01-25 EP claimed
WO-2004091502-A2 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS PTC THERAPEUTICS, INC. (US) 2004-10-28 WO 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 (6 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 KDM4E 2717/4885HSD17B10 1880/4885TSHR 3989/4885
US-20100168109-A1 PHARMACEUTICAL COMPOSITIONS OF 1,2,4-OXADIAZOLE BENZOIC ACID AND THEIR USE FOR THE TREATMENT OF DISEASE UPF1, RIOX2, PABPC1 KDM4E 2466/4885HSD17B10 1653/4885TSHR 3932/4885
US-20140301978-A1 METHODS FOR USING 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS UPF1, RIOX2, RNMT KDM4E 2150/4885HSD17B10 1967/4885TSHR 3850/4885
US-20150148346-A1 COMPOSITIONS OF 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND METHODS FOR THEIR USE UPF1, RIOX2, RNMT KDM4E 1760/4885HSD17B10 2368/4885TSHR 4068/4885
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 KDM4E 2680/4885HSD17B10 2656/4885TSHR 3067/4885
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 KDM4E 2090/4885HSD17B10 2799/4885TSHR 3394/4885

“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.