SCHEMBL15701009

SCHEMBL15701009

CCOC(=O)Cn1ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
PIN1 Q13526 1/20 0.36
PIN4 Q9Y237 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7364434 0.75 ALDH1A1 (0.40) ALDH1A1KDM4ERAB9AGSK3AGSK3B
SCHEMBL2828598 0.75 ALDH1A1 (0.49) ALDH1A1KDM4ERAB9AGSK3AGSK3B
SCHEMBL7363732 0.74 CA12 (0.40) ALDH1A1KDM4ERAB9AGSK3AGSK3B
SCHEMBL18913971 0.74 GSK3A (0.46) ALDH1A1KDM4ERAB9AGSK3AGSK3B
SCHEMBL6028622 0.73 ROCK2 (0.36) ALDH1A1L3MBTL1TSHR
SCHEMBL15701010 0.72 GSK3A (0.45) ALDH1A1KDM4ERAB9AGSK3AGSK3B
SCHEMBL15919718 0.72 GSK3A (0.45) ALDH1A1KDM4ERAB9AGSK3AGSK3B
SCHEMBL13837758 0.72 GSK3A (0.45) ALDH1A1KDM4ERAB9AGSK3AGSK3B
SCHEMBL16888067 0.72 CA12 (0.43) ALDH1A1KDM4ERAB9AGSK3AGSK3B
SCHEMBL3584205 0.71 GSK3A (0.46) HDAC6ALDH1A1KDM4EGSK3AGSK3B

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
EP-2914592-B1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INT (DE) 2017-10-11 EP disclosed
US-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 US disclosed
WO-2014070979-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 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-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS CDKN1A, CCNA1, IFNAR1 HDAC6 679/4885ALDH1A1 2565/4885KDM4E 2074/4885

“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.