SCHEMBL752843

SCHEMBL752843

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.40
NAMPT P43490 1/20 0.34
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
CA7 P43166 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA2 P00918 1/20 0.31
RECQL P46063 1/20 0.31
AHCY P23526 1/20 0.30
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
SCHEMBL2485879 0.90 CA14 (0.42) CA14CA12CA1HDAC1HDAC2
SCHEMBL2486591 0.87 CA14 (0.46) CA14CA12CA1HDAC1HDAC2
SCHEMBL2486327 0.87 CA14 (0.42) CA14HDAC1HDAC2HDAC6RECQL
SCHEMBL755177 0.82 CA14 (0.35) CA14HDAC1HDAC2HDAC6RECQL
SCHEMBL24072540 0.80 KMT2A (0.44) CA14NAMPTCA12CA1HDAC1
SCHEMBL18597221 0.79 ALDH1A1 (0.49) CA14NAMPTCA12CA1HDAC1
SCHEMBL6815143 0.79 CA14 (0.32) CA14CA12CA1CA7CA2
SCHEMBL754493 0.76 CA14 (0.32) CA14HDAC6
SCHEMBL17149486 0.76 CA14 (0.40) CA14NAMPTCA12CA1HDAC1
SCHEMBL20365669 0.76 MLYCD (0.44) CA14NAMPTCA12CA1HDAC1

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 9 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
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP 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
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
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP 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 (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 CA14 4336/4885NAMPT 794/4885CA12 4630/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA14 4336/4885NAMPT 794/4885CA12 4630/4885

“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.