SCHEMBL3467656

SCHEMBL3467656

COC(=O)CNC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.53
CA2 P00918 3/20 0.53
CA14 Q9ULX7 1/20 0.53
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 1/20 0.44
TET2 Q6N021 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38
APLNR P35414 1/20 0.38
EPHX2 P34913 1/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL11566314 1.00 CA12 (0.53) CA12CA2CA14RECQLTDP1
SCHEMBL523837 0.92 CA2 (0.59) CA12CA2CA14RECQLTDP1
SCHEMBL23332545 0.90 TDP1 (0.46) CA12CA2CA14RECQLTDP1
SCHEMBL18838912 0.87 CA12 (0.43) CA12CA2CA14RECQLTDP1
SCHEMBL23518259 0.86 CA2 (0.44) CA12CA2CA14RECQLTDP1
SCHEMBL11658424 0.85 KMT2A (0.41) CA12CA2CA14RECQLMEN1
SCHEMBL11661626 0.85 KMT2A (0.41) CA12CA2CA14RECQLMEN1
SCHEMBL11661632 0.85 KMT2A (0.41) CA12CA2CA14RECQLMEN1
SCHEMBL11658432 0.85 KMT2A (0.41) CA12CA2CA14RECQLMEN1
SCHEMBL21602768 0.85 TDP1 (0.44) CA12CA2CA14RECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710008-B2 Compounds, compositions and use UNIVERSITETET I OSLO (NO) 2014-04-29 US disclosed
US-20120245094-A1 COMPOUNDS, COMPOSITIONS AND USE UNIVERSITETET I OLSO (NO) 2012-09-27 US disclosed
WO-2010073009-A2 COMPOUNDS, COMPOSITIONS AND USE UNIVERSITETET I OSLO (NO) 2010-07-01 WO disclosed
CN-1196686-C Method for storing quaternary ammonium salt TOKUYAMA CORP (JP) 2005-04-13 CN disclosed
CN-1372554-A Method for preserving quaternary ammonium salts TOKUYAMA CORP (JP) 2002-10-02 CN disclosed
US-4428889-A PREPARING THIOPEPTIDES FROM PEPTIDES BRISTOL-MYERS COMPANY (US) 1984-01-31 US disclosed
US-4169141-A 1-Peptidyl derivatives of di-O-aminoglycosyl-1,3-diaminocyclitol antibacterial agents SHERING CORPORATION (US) 1979-09-25 US disclosed
US-4093610-A CYCLIC DODECAPEPTIDE, MULTISTAGE AMERICAN HOME PRODUCTS CORPORATION (US) 1978-06-06 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 (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-20120245094-A1 COMPOUNDS, COMPOSITIONS AND USE VIP, C9, NGLY1 CA12 103/4885CA2 559/4885CA14 129/4885

“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.