SCHEMBL2486327

SCHEMBL2486327

COCCN(CCC(=O)NCOC)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.42
TSHR P16473 1/20 0.35
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
RECQL P46063 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
SCHEMBL2485879 0.89 CA14 (0.42) CA14HDAC1HDAC2HDAC6RECQL
SCHEMBL752843 0.87 CA14 (0.40) CA14HDAC1HDAC2HDAC6RECQL
SCHEMBL2486591 0.86 CA14 (0.46) CA14TSHRHDAC1HDAC2HDAC6
SCHEMBL18285886 0.83 CA14 (0.43) CA14TSHRHDAC1HDAC2HDAC6
SCHEMBL755177 0.81 CA14 (0.35) CA14TSHRHDAC1HDAC2HDAC6
SCHEMBL24137970 0.80 CA14 (0.40) CA14HDAC1HDAC2HDAC6
SCHEMBL18759031 0.77 CA14 (0.42) CA14TSHRHDAC1HDAC2HDAC6
SCHEMBL23857521 0.77 CA14 (0.45) CA14HDAC1HDAC2HDAC6
SCHEMBL2486326 0.75 CA14 (0.37) CA14HDAC1HDAC2HDAC6
SCHEMBL20783203 0.75 CA14 (0.41) CA14TSHRHDAC1HDAC2HDAC6

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-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
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP 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 4756/4885TSHR 4237/4885HDAC1 307/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA14 4336/4885TSHR 3427/4885HDAC1 367/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA14 4336/4885TSHR 3427/4885HDAC1 367/4885

“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.