SCHEMBL9219474

SCHEMBL9219474

CN(CCCC(N)=O)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CA14 Q9ULX7 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
CTSK P43235 2/20 0.34
PDK2 Q15119 1/20 0.33
BUB1 O43683 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
GBA1 P04062 1/20 0.32
METAP2 P50579 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL21235768 0.95 HDAC6 (0.42) HDAC6HDAC1HDAC2CA14MAOA
SCHEMBL8383405 0.91 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14MAOA
SCHEMBL6256081 0.85 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL693386 0.85 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14BUB1
SCHEMBL23477345 0.84 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL9227134 0.84 HDAC6 (0.46) HDAC6HDAC1HDAC2CA14AAK1
SCHEMBL2344511 0.84 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL55404 0.83 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14AAK1
SCHEMBL2020494 0.82 TSHR (0.47) HDAC6HDAC1HDAC2CA14CTSK
SCHEMBL734219 0.82 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14CTSK

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-7777069-B2 Prodrugs of carbamate inhibitors of IMPDH VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-17 US disclosed
US-7777069-B2 Prodrugs of carbamate inhibitors of IMPDH VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-17 US disclosed
US-20090093639-A1 Prodrugs of carbamate inhibitors of IMPDH VERTEX PHARMACEUTICAL INCORPORATED (US) 2009-04-09 US disclosed
US-20090093639-A1 Prodrugs of carbamate inhibitors of IMPDH VERTEX PHARMACEUTICAL INCORPORATED (US) 2009-04-09 US disclosed
EP-0639582-A2 Polynucleotide assay reagent and method ANTIVIRALS INC. (US) 1995-02-22 EP disclosed
US-5217866-A Polynucleotide assay reagent and method ANTI-GENE DEVELOPMENT GROUP (US) 1993-06-08 US disclosed
EP-0215942-A4 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD. SUMMERTON JAMES 1988-08-23 EP disclosed
EP-0215942-A1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD. SUMMERTON JAMES 1987-04-01 EP disclosed
WO-1986005519-A1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD SUMMERTON JAMES 1986-09-25 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 (1 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-20090093639-A1 Prodrugs of carbamate inhibitors of IMPDH IMPDH1, IMPDH2, IMPA1 HDAC6 618/4885HDAC1 170/4885HDAC2 471/4885

“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.