SCHEMBL1193764

SCHEMBL1193764

CCOC(=O)C(Nc1ccc2ccccc2c1)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA9 Q16790 3/20 0.54
DHODH Q02127 3/20 0.50
GAA P10253 2/20 0.49
RAB9A P51151 8/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 6/20 0.48
POLB P06746 3/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL12887941 0.92 DHODH (0.46) CA12CA1CA2CA9DHODH
SCHEMBL4411805 0.87 RAB9A (0.51) DHODHGAARAB9ASMN1; SMN2NPC1
SCHEMBL4411802 0.87 RAB9A (0.51) DHODHGAARAB9ASMN1; SMN2NPC1
SCHEMBL14108653 0.86 RAB9A (0.50) CA12CA1CA2CA9GAA
SCHEMBL4424175 0.85 DHODH (0.48) DHODHGAARAB9ASMN1; SMN2NPC1
SCHEMBL11364004 0.82 GAA (0.50) DHODHGAARAB9ASMN1; SMN2NPC1
SCHEMBL2960871 0.80 CA12 (0.62) CA12CA1CA2CA9GAA
SCHEMBL30450762 0.79 HPGD (0.64) CA12CA1CA2CA9RAB9A
SCHEMBL6270218 0.78 RAB9A (0.63) GAARAB9ASMN1; SMN2NPC1POLB
SCHEMBL28892047 0.78 TSHR (0.51) DHODHGAARAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110119775-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 US disclosed
US-7888332-B2 Hydrazide-containing CFTR inhibitor compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-02-15 US disclosed
EP-1740532-A4 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF UNIV CALIFORNIA (US) 2009-06-10 EP disclosed
US-20090048207-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-19 US disclosed
US-7414037-B2 cystic fibrosis transmembrane conductance regulator protein inhibitor; 2-naphthalenylamino-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene][3-[4-(3-(PEG)n-thioureido)diphenyl)-thioureido]propanedioic acid dihydrazide (MalH-(PEG)nB); cystic fibrosis with forms of male infertility, secretory diarrhea THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-08-19 US disclosed
US-7414037-B2 cystic fibrosis transmembrane conductance regulator protein inhibitor; 2-naphthalenylamino-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene][3-[4-(3-(PEG)n-thioureido)diphenyl)-thioureido]propanedioic acid dihydrazide (MalH-(PEG)nB); cystic fibrosis with forms of male infertility, secretory diarrhea THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-08-19 US disclosed
EP-1740532-A2 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF The Regents of the University of California (US) 2007-01-10 EP disclosed
US-20050239740-A1 Hydrazide-containing CFTR inhibitor compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-10-27 US disclosed
WO-2005094374-A2 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-10-13 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 (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-20050239740-A1 Hydrazide-containing CFTR inhibitor compounds and uses thereof CFTR, ABCC5, SLC9A5 CA12 2382/4885CA1 1969/4885CA2 329/4885
US-20110119775-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, ABCC5, SLC9A5 CA12 2382/4885CA1 1969/4885CA2 329/4885
US-20090048207-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, ABCC5, SLC9A5 CA12 2382/4885CA1 1969/4885CA2 329/4885

“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.