SCHEMBL6815136

SCHEMBL6815136

CCC(CC)N(CCC(=O)N(C)OC)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA7 P43166 1/20 0.31
CA2 P00918 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
SCHEMBL8522505 0.79 HDAC6 (0.38) HDAC6HDAC1HDAC2CA1CA14
SCHEMBL499576 0.79 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14
SCHEMBL752842 0.78 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14
SCHEMBL6811298 0.77 CA14 (0.38) HDAC6HDAC1HDAC2CA12CA1
SCHEMBL6815143 0.75 CA14 (0.32) CA12CA1CA14CA7CA2
SCHEMBL13534084 0.74 HDAC6 (0.35) HDAC6HDAC1HDAC2CA12CA1
SCHEMBL2486588 0.74 CA14 (0.42) HDAC6HDAC1HDAC2CA12CA1
SCHEMBL17171320 0.74 HDAC1 (0.31) HDAC6HDAC1HDAC2
SCHEMBL19457048 0.73 CA14 (0.36) HDAC6HDAC1HDAC2CA12CA1
SCHEMBL380215 0.73 HDAC6 (0.43) HDAC6HDAC1HDAC2CA14

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-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP 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-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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 (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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT HDAC6 2258/4885HDAC1 307/4885HDAC2 1064/4885
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.