SCHEMBL58660

SCHEMBL58660

CC(C)c1ccc(N2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
CMA1 P23946 3/20 0.48
CTSG P08311 2/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 4/20 0.45
RECQL P46063 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
APEX1 P27695 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
PKM P14618 1/20 0.44
MEN1 O00255 5/20 0.43
GAA P10253 3/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL132581 0.99 KMT2A (0.49) KMT2ACMA1CTSGL3MBTL1ALDH1A1
SCHEMBL132580 0.98 KMT2A (0.48) KMT2ACMA1CTSGL3MBTL1ALDH1A1
SCHEMBL133629 0.95 ALDH1A1 (0.50) KMT2ACMA1CTSGL3MBTL1ALDH1A1
SCHEMBL133964 0.88 CMA1 (0.39) KMT2ACMA1CTSGL3MBTL1MEN1
SCHEMBL135269 0.87 GAA (0.53) CMA1CTSGL3MBTL1ALDH1A1HPGD
SCHEMBL133701 0.86 KMT2A (0.53) KMT2ACMA1CTSGL3MBTL1ALDH1A1
SCHEMBL172529 0.86 ALDH1A1 (0.61) KMT2ACMA1CTSGL3MBTL1ALDH1A1
SCHEMBL133928 0.85 PKM (0.62) KMT2ACMA1CTSGL3MBTL1ALDH1A1
SCHEMBL171096 0.85 CMA1 (0.52) KMT2ACMA1CTSGL3MBTL1ALDH1A1
SCHEMBL172775 0.84 ALDH1A1 (0.60) KMT2ACMA1CTSGL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4101846-B1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2023-08-02 EP disclosed
EP-4101846-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2022-12-14 EP disclosed
EP-3889142-B1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2022-06-15 EP disclosed
EP-3889142-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2021-10-06 EP disclosed
EP-3632902-B1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUND AND ITS USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2021-07-14 EP disclosed
EP-3549936-B1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUND AND ITS USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2021-06-02 EP disclosed
EP-3632902-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUND AND ITS USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2020-04-08 EP disclosed
EP-3549936-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUND AND ITS USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2019-10-09 EP disclosed
US-10071081-B2 Compositions of 1,2,4-oxadiazole benzoic acid compounds and methods for their use PTC THERAPEUTICS, INC. (US) 2018-09-11 US disclosed
EP-3345895-A1 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUND AND ITS USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2018-07-11 EP disclosed
US-20060148864-A1 Treating or preventing a disease ameliorated by modulation of premature translation termination or nonsense-mediated mRNA decay such as genetic disorders PTC THERAPEUTICS, INC. 2006-07-06 US disclosed
US-20060148863-A1 E.g., 3-[5-(2-Chloro-pyridin-3-yl)-[1,2,4]oxadiazol-3-yl]-benzoic acid; treating or preventing a disease ameliorated by modulation of premature translation termination or nonsense-mediated mRNA decay such as genetic disorders PTC THERAPEUTICS, INC. 2006-07-06 US disclosed
US-20060035943-A1 E.g., 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid; treating or preventing a disease ameliorated by modulation of premature translation termination or nonsense-mediated mRNA decay such as genetic disorders PTC THERAPEUTICS, INC. 2006-02-16 US disclosed
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 disclosed
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 disclosed
US-20050164973-A1 E.g., 3-[5-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-3-yl]-benzoic acid; treating diseases ameliorated by modulation of premature translation termination or nonsense-mediated mRNA decay PCT THERAPEUTICS, INC. 2005-07-28 US disclosed
EP-1542667-A2 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2005-06-22 EP disclosed
WO-2004091502-A2 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS PTC THERAPEUTICS, INC. (US) 2004-10-28 WO disclosed
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 disclosed
WO-2004009558-A2 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS, THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASES CAUSED BY SUCH MUTATIONS PTC THERAPEUTICS, INC. (US) 2004-01-29 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 (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-20060148864-A1 Treating or preventing a disease ameliorated by modulation of premature translation termination or nonsense-mediated mRNA decay such as genetic disorders UPF1, PABPC1, PABPC4 KMT2A 3418/4885CMA1 2419/4885CTSG 3352/4885
US-20060035943-A1 E.g., 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid; treating or preventing a disease ameliorated by modulation of premature translation termination or nonsense-mediated mRNA decay such as genetic disorders UPF1, PABPC1, PABPC4 KMT2A 3823/4885CMA1 2965/4885CTSG 3334/4885
US-20060148863-A1 E.g., 3-[5-(2-Chloro-pyridin-3-yl)-[1,2,4]oxadiazol-3-yl]-benzoic acid; treating or preventing a disease ameliorated by modulation of premature translation termination or nonsense-mediated mRNA decay such as genetic disorders UPF1, PABPC1, PABPC4 KMT2A 3319/4885CMA1 2376/4885CTSG 2839/4885
US-20050164973-A1 E.g., 3-[5-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-3-yl]-benzoic acid; treating diseases ameliorated by modulation of premature translation termination or nonsense-mediated mRNA decay UPF1, PABPC1, PABPC4 KMT2A 3497/4885CMA1 2314/4885CTSG 2228/4885
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 KMT2A 3366/4885CMA1 3003/4885CTSG 4423/4885
US-10071081-B2 Compositions of 1,2,4-oxadiazole benzoic acid compounds and methods for their use UPF1, RIOX2, RNMT KMT2A 3654/4885CMA1 2051/4885CTSG 3234/4885

“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.