SCHEMBL59705

SCHEMBL59705

Cc1cc(OCC(=O)Nc2cccc(C(=O)O)c2)ccc1C(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.66
RAB9A P51151 6/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
HIF1A Q16665 4/20 0.65
EPAS1 Q99814 4/20 0.65
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
ALDH1A1 P00352 3/20 0.64
MITF O75030 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
PAX8 Q06710 1/20 0.61
KLF5 Q13887 1/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 2/20 0.57
KDM4E B2RXH2 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 1/20 0.54

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
SCHEMBL28115910 0.99 NPC1 (0.65) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL2947575 0.90 MDH1 (0.60) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL2950872 0.89 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL29606712 0.89 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL28837191 0.89 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL2947496 0.87 MEN1 (0.79) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL2960933 0.85 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL2950201 0.84 NPC1 (0.69) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL2957003 0.84 HIF1A (0.72) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL2953611 0.83 KMT2A (0.56) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3528815-B1 2,6-DIAMINOPURINE FOR USE IN THE TREATMENT OR PREVENTION OF DISEASES CAUSED BY A NONSENSE MUTATION MUSEUM NAT DHISTOIRE NATURELLE (FR) 2023-06-14 EP claimed
EP-3528815-A1 PURINE DERIVATIVE FOR USE IN THE TREATMENT OR PREVENTION OF DISEASES CAUSED BY A NONSENSE MUTATION Muséum National D'histoire Naturelle (FR) 2019-08-28 EP claimed
US-20190240228-A1 PURINE DERIVATIVE FOR USE IN THE TREATMENT OR PREVENTION OF DISEASES CAUSED BY A NONSENSE MUTATION MUSÉUM NATIONAL D'HISTOIRE NATURELLE (FR) 2019-08-08 US claimed
US-7247741-B2 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2007-07-24 US claimed
US-20060167263-A1 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. 2006-07-27 US claimed
EP-1525185-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2005-04-27 EP claimed
WO-2004009533-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. (US) 2004-01-29 WO claimed
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
US-20220001015-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS SEAPORT THERAPEUTICS, INC. 2022-01-06 US 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
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-1525185-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2005-04-27 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-2004009533-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE 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 (5 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-20220001015-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS LIPA, MALT1, SGMS1 NPC1 57/4885RAB9A 1988/4885SMN1; SMN2 2508/4885
US-20060167263-A1 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease UPF1, NAT10, PABPC1 NPC1 1202/4885RAB9A 2946/4885SMN1; SMN2 23/4885
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 NPC1 908/4885RAB9A 2955/4885SMN1; SMN2 35/4885
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 NPC1 2171/4885RAB9A 3331/4885SMN1; SMN2 88/4885
US-20190240228-A1 PURINE DERIVATIVE FOR USE IN THE TREATMENT OR PREVENTION OF DISEASES CAUSED BY A NONSENSE MUTATION UPF1, HPRT1, GNPDA1 NPC1 1639/4885RAB9A 2363/4885SMN1; SMN2 944/4885

“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.