SCHEMBL16775484

SCHEMBL16775484

CCOC(=O)CC(=O)C1(C)CCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 4/20 0.39
TRPA1 O75762 1/20 0.39
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.35
EPHX2 P34913 1/20 0.35
CYP1A2 P05177 1/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL19216681 0.96 GAA (0.52) GAAMGAMSIMGAM2ALOX15
SCHEMBL4414359 0.92 GAA (0.56) GAAMGAMSIMGAM2ALOX15
SCHEMBL1617803 0.84 GAA (0.47) GAAMGAMSIMGAM2ALOX15
SCHEMBL11376813 0.80 MGAM (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17092379 0.80 ALOX15 (0.43) GAAMGAMSIMGAM2ALOX15
SCHEMBL19216698 0.79 GAA (0.50) GAAMGAMSIMGAM2ALOX15
SCHEMBL19216683 0.78 GAA (0.48) GAAMGAMSIMGAM2ALOX15
SCHEMBL60903 0.75 BRD4 (0.41) GAAMGAMSIMGAM2ALOX15
SCHEMBL11038014 0.75 GAA (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9598083 0.74 GAA (0.54) GAAMGAMSIMGAM2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180155342-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2018-06-07 US disclosed
US-9908878-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-03-06 US disclosed
US-20160355512-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-12-08 US disclosed
US-9394302-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-07-19 US disclosed
US-20150191468-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2015-07-09 US disclosed
US-9051319-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-09 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 (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-20160355512-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 GAA 500/4885MGAM 1362/4885SI 113/4885
US-20150191468-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 GAA 500/4885MGAM 1362/4885SI 113/4885
US-20180155342-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 GAA 500/4885MGAM 1362/4885SI 113/4885

“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.