SCHEMBL754492

SCHEMBL754492

CON(C)C(=O)CCN(C(=O)OC(C)(C)C)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
DPP4 P27487 1/20 0.31
ASGR1 P07306 1/20 0.31
CCR5 P51681 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
KDM1A O60341 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL16921539 0.87 HDAC6 (0.36) HDAC6HDAC1HDAC2DPP4ASGR1
SCHEMBL16234861 0.85 NFKB1 (0.32) HDAC6HDAC1HDAC2DPP4CCR5
SCHEMBL6498594 0.80 CA14 (0.34) HDAC6HDAC1HDAC2DPP4CCR5
SCHEMBL8007229 0.79 ALDH1A1 (0.35) HSD11B1
SCHEMBL499576 0.79 HDAC6 (0.38) HDAC6HDAC1HDAC2
SCHEMBL8522505 0.79 HDAC6 (0.38) HDAC6HDAC1HDAC2
SCHEMBL6488909 0.78 NFKB1 (0.39) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL21043411 0.77 KMT2A (0.34) HDAC6DPP4CCR5NFKB1NFKB2
SCHEMBL15285331 0.77 CA14 (0.36) HDAC6HDAC1HDAC2DPP4ASGR1
SCHEMBL12827200 0.76 L3MBTL1 (0.33) HDAC6HDAC1HDAC2DPP4CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP 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 (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HDAC6 1915/4885HDAC1 367/4885HDAC2 1255/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HDAC6 1915/4885HDAC1 367/4885HDAC2 1255/4885

“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.