SCHEMBL2486326

SCHEMBL2486326

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.37
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MLYCD O95822 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
SCHEMBL6811298 0.87 CA14 (0.38) CA14HDAC6HDAC1HDAC2
SCHEMBL752842 0.85 HDAC6 (0.36) CA14HDAC6HDAC1HDAC2
SCHEMBL2486588 0.84 CA14 (0.42) CA14HDAC6HDAC1HDAC2
SCHEMBL18285886 0.81 CA14 (0.43) CA14HDAC6HDAC1HDAC2POLB
SCHEMBL24137970 0.81 CA14 (0.40) CA14HDAC6HDAC1HDAC2POLB
SCHEMBL8522505 0.80 HDAC6 (0.38) CA14HDAC6HDAC1HDAC2
SCHEMBL499576 0.80 HDAC6 (0.38) CA14HDAC6HDAC1HDAC2
SCHEMBL18759031 0.78 CA14 (0.42) CA14HDAC6HDAC1HDAC2MLYCD
SCHEMBL23857521 0.78 CA14 (0.45) CA14HDAC6HDAC1HDAC2POLB
SCHEMBL20783203 0.76 CA14 (0.41) CA14HDAC6HDAC1HDAC2MLYCD

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 4756/4885HDAC6 2258/4885HDAC1 307/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA14 4336/4885HDAC6 1915/4885HDAC1 367/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA14 4336/4885HDAC6 1915/4885HDAC1 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.