SCHEMBL1932116

SCHEMBL1932116

O=C(O)c1cccc(N2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.54
PPARA Q07869 5/20 0.54
CMA1 P23946 2/20 0.49
CTSG P08311 1/20 0.49
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ENPP2 Q13822 2/20 0.47
CFTR P13569 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 4/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL171102 0.90 ALDH1A1 (0.51) PPARDPPARACMA1CTSGKMT2A
SCHEMBL132752 0.90 KMT2A (0.51) PPARDPPARACMA1CTSGKMT2A
SCHEMBL172529 0.87 ALDH1A1 (0.61) CMA1CTSGKMT2AALDH1A1HPGD
SCHEMBL134036 0.86 MRGPRX4 (0.48) PPARDPPARACMA1CTSGKMT2A
SCHEMBL171096 0.86 CMA1 (0.52) CMA1CTSGKMT2AALDH1A1HPGD
SCHEMBL172775 0.85 ALDH1A1 (0.60) CMA1CTSGKMT2AALDH1A1HPGD
SCHEMBL131981 0.85 CMA1 (0.51) CMA1CTSGKMT2AALDH1A1HPGD
SCHEMBL172461 0.85 KMT2A (0.53) CMA1CTSGKMT2AALDH1A1HPGD
SCHEMBL172580 0.85 CMA1 (0.54) CMA1CTSGKMT2AALDH1A1HPGD
SCHEMBL133701 0.85 KMT2A (0.53) CMA1CTSGKMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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 (3 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 PPARD 1092/4885PPARA 910/4885CMA1 3088/4885
US-20110130391-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE UPF1, VHL, URB2 PPARD 1092/4885PPARA 910/4885CMA1 3088/4885
US-20080275233-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE UPF1, VHL, URB2 PPARD 1092/4885PPARA 910/4885CMA1 3088/4885

“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.