SCHEMBL12418237

SCHEMBL12418237

CC(C)(C)OC(=O)NCCCC(=O)NCCOS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.55
CA2 P00918 11/20 0.55
CA12 O43570 6/20 0.47
CA9 Q16790 6/20 0.47
CA4 P22748 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MGLL Q99685 2/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP1 P03956 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
EGFR P00533 1/20 0.42
ALOX5 P09917 1/20 0.41

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
SCHEMBL2291440 0.87 CA1 (0.51) CA1CA2CA12CA9CA4
SCHEMBL791306 0.78 CA2 (0.56) CA1CA2CA12CA9EGFR
SCHEMBL22771313 0.77 CA1 (0.52) CA1CA2CA12CA9MGLL
SCHEMBL872557 0.77 MGLL (0.47) MGLL
SCHEMBL17001563 0.77 CA2 (0.55) CA1CA2CA12CA9EGFR
SCHEMBL16990184 0.76 CA1 (0.54) CA1CA2CA12CA9CA7
SCHEMBL487585 0.76 CA1 (0.59) CA1CA2CA12CA9
SCHEMBL6183257 0.76 CA12 (0.66) CA1CA2CA12CA9MGLL
SCHEMBL25339171 0.74 MEN1 (0.52) CA1CA2CA12CA9CA4
SCHEMBL1619490 0.74 CA1 (0.58) CA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008007-B2 S-adenosyl-L-methionine analogs with extended activated groups for transfer by methyltransferases RWTH AACHEN (DE) 2011-08-30 US disclosed
US-20090018101-A1 S-ADENOSYL-L-METHIONINE ANALOGS WITH EXTENDED ACTIVATED GROUPS FOR TRANSFER BY METHYLTRANSFERASES RWTH AACHEN (DE) 2009-01-15 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-20090018101-A1 S-ADENOSYL-L-METHIONINE ANALOGS WITH EXTENDED ACTIVATED GROUPS FOR TRANSFER BY METHYLTRANSFERASES BHMT2, MSRB3, PRMT3 CA1 2302/4885CA2 2918/4885CA12 1984/4885

“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.