SCHEMBL6811298

SCHEMBL6811298

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.38
CA12 O43570 3/20 0.35
HDAC6 Q9UBN7 2/20 0.35
CA1 P00915 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
CA7 P43166 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CA2 P00918 2/20 0.32
CA9 Q16790 1/20 0.31
HDAC3 O15379 1/20 0.30
NCOR2 Q9Y618 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
SCHEMBL2486588 0.91 CA14 (0.42) CA14CA12HDAC6CA1HDAC1
SCHEMBL752842 0.89 HDAC6 (0.36) CA14HDAC6HDAC1HDAC2
SCHEMBL2486326 0.87 CA14 (0.37) CA14HDAC6HDAC1HDAC2
SCHEMBL2608081 0.82 CA14 (0.49) CA14CA12HDAC6CA1HDAC1
SCHEMBL499576 0.81 HDAC6 (0.38) CA14HDAC6HDAC1HDAC2
SCHEMBL8522505 0.81 HDAC6 (0.38) CA14HDAC6CA1HDAC1HDAC2
SCHEMBL23624124 0.80 CA14 (0.44) CA14CA12HDAC6CA1HDAC1
SCHEMBL3975488 0.79 CA14 (0.42) CA14CA12HDAC6CA1HDAC1
SCHEMBL17987028 0.79 CA14 (0.45) CA14CA12HDAC6CA1HDAC1
SCHEMBL20045144 0.78 CA14 (0.39) CA14CA12HDAC6CA1HDAC1

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 5 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-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 CA14 4756/4885CA12 4846/4885HDAC6 2258/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA14 4336/4885CA12 4630/4885HDAC6 1915/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA14 4336/4885CA12 4630/4885HDAC6 1915/4885

“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.