SCHEMBL1688828

SCHEMBL1688828

COC(=O)CN(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 4/20 0.41
CA12 O43570 3/20 0.38
CA2 P00918 2/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
DGAT1 O75907 1/20 0.36
CA1 P00915 2/20 0.36
TSHR P16473 3/20 0.34
CASR P41180 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.32
HDAC3 O15379 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
TET2 Q6N021 1/20 0.31
MEN1 O00255 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
SCHEMBL20262979 0.96 CA14 (0.42) CA14CA12CA2MGAMGAA
SCHEMBL28409176 0.92 CA14 (0.41) CA14CA12CA2DGAT1CA1
SCHEMBL3734491 0.89 CA14 (0.39) CA14CA12CA2MGAMGAA
SCHEMBL15253867 0.87 CA14 (0.40) CA14CA12CA2MGAMGAA
SCHEMBL20089221 0.86 KMT2A (0.43) CA14CA12CA2MGAMGAA
SCHEMBL4918504 0.85 CA14 (0.37) CA14CASRHDAC6HDAC1HDAC2
SCHEMBL1688827 0.84 CA14 (0.38) CA14CASRHDAC6HDAC1HDAC2
SCHEMBL18798854 0.84 CA14 (0.41) CA14CA12CA2MGAMGAA
SCHEMBL28686036 0.84 KMT2A (0.44) CA14CA12CA2MGAMGAA
SCHEMBL12327592 0.83 CA14 (0.35) CA14CA12CA2MGAMGAA

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-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 US disclosed
US-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 US disclosed
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 US disclosed
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 US disclosed
US-8901353-B2 Polyimide precursor, polyimide, and liquid crystal aligning agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-02 US disclosed
US-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-12 US disclosed
US-20110237458-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2011-09-29 US disclosed
US-20110237458-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2011-09-29 US disclosed
US-8019550-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2011-09-13 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-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT PUF60, F13A1, F12 CA14 1563/4885CA12 1392/4885CA2 1637/4885

“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.