SCHEMBL172574

SCHEMBL172574

O=C(O)c1cccc(N2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
ENPP2 Q13822 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
TTR P02766 1/20 0.41
SCN9A Q15858 3/20 0.40
FPR2 P25090 2/20 0.40
NOX4 Q9NPH5 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP17A1 P05093 2/20 0.39
CMA1 P23946 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
P2RX7 Q99572 1/20 0.38
CFTR P13569 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL12798468 0.92 TTR (0.42) HDAC1HDAC11TTRSCN9AMEN1
SCHEMBL131529 0.79 HDAC1 (0.45) HDAC1TTRFPR2NOX4MEN1
SCHEMBL6434435 0.78 CYP17A1 (0.53) HDAC11MEN1NPC1RAB9AKMT2A
SCHEMBL20956916 0.77 RAB9A (0.54) HDAC1NOX4MEN1NPC1RAB9A
SCHEMBL12534367 0.76 NOX4 (0.41) HDAC1SCN9ANOX4MEN1NPC1
SCHEMBL171210 0.76 ALDH1A1 (0.53) HDAC1ENPP2MEN1NPC1RAB9A
SCHEMBL171164 0.76 TTR (0.49) HDAC1TTRSCN9ANOX4
SCHEMBL136028 0.75 HDAC1 (0.46) HDAC1NOX4CMA1MRGPRX4NOTUM
SCHEMBL133885 0.72 HDAC1 (0.47) HDAC1TTRNOX4
SCHEMBL133558 0.72 NOX4 (0.47) HDAC1NOX4MEN1KMT2A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH PTC THERAPEUTICS, INC. 2016-07-14 US disclosed
US-9289398-B2 Methods for the production of functional protein from DNA having a nonsense mutation and the treatment of disorders associated therewith PTC THERAPEUTICS, INC. (US) 2016-03-22 US disclosed
US-8334313-B2 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2012-12-18 US disclosed
US-8334313-B2 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2012-12-18 US disclosed
EP-1542667-B1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2012-03-07 EP disclosed
EP-2387995-A1 Methods for the production of functional protein from DNA having a nonsense mutation and the treatment of disorders associated therewith PTC Therapeutics, Inc. (US) 2011-11-23 EP disclosed
US-20110130391-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. 2011-06-02 US disclosed
US-20110130391-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. 2011-06-02 US disclosed
US-7902241-B2 3-[3-(4-ISOPROPYLPHENYL)-2,5-DIOXO-IMIDAZOLIDIN-1-YL]- or 2-OXO-2,3-DIHYDROIMIDAZOL-1-YL]BENZOIC ACID; modulating premature translation termination and nonsense-mediated mRNA decay; gene therapy; cystic fibrosis or Duchenne muscular dystrophy; cancer, autoimmune disease, blood disease, diabetes PTC THERAPEUTICS, INC. (US) 2011-03-08 US disclosed
US-7902241-B2 3-[3-(4-ISOPROPYLPHENYL)-2,5-DIOXO-IMIDAZOLIDIN-1-YL]- or 2-OXO-2,3-DIHYDROIMIDAZOL-1-YL]BENZOIC ACID; modulating premature translation termination and nonsense-mediated mRNA decay; gene therapy; cystic fibrosis or Duchenne muscular dystrophy; cancer, autoimmune disease, blood disease, diabetes PTC THERAPEUTICS, INC. (US) 2011-03-08 US disclosed
US-20110046136-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCICATED THEREWITH THERAPEUTICS, INC. (US) 2011-02-24 US disclosed
US-20080275233-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. 2008-11-06 US disclosed
US-20080275233-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. 2008-11-06 US disclosed
US-7405233-B2 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2008-07-29 US disclosed
US-7405233-B2 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2008-07-29 US disclosed
US-7405233-B2 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2008-07-29 US disclosed
WO-2007117438-A2 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH PTC THERAPEUTICS, INC. (US) 2007-10-18 WO disclosed
US-20060167065-A1 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. 2006-07-27 US 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-20060167065-A1 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease UPF1, VHL, URB2 HDAC1 2949/4885ENPP2 1181/4885HDAC11 2307/4885
US-20110046136-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCICATED THEREWITH UPF1, DNAJC10, RNGTT HDAC1 3659/4885ENPP2 1960/4885HDAC11 3352/4885
US-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH UPF1, DNAJC10, RNGTT HDAC1 3787/4885ENPP2 1993/4885HDAC11 3466/4885
US-20110130391-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE UPF1, VHL, URB2 HDAC1 2949/4885ENPP2 1181/4885HDAC11 2307/4885
US-20080275233-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE UPF1, VHL, URB2 HDAC1 2949/4885ENPP2 1181/4885HDAC11 2307/4885

“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.