SCHEMBL2486591

SCHEMBL2486591

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.46
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
DNM1 Q05193 2/20 0.33
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA9 Q16790 2/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
CA7 P43166 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
FAAH O00519 2/20 0.32
RECQL P46063 1/20 0.32
CA2 P00918 1/20 0.32
CASP2 P42575 1/20 0.31
CNR1 P21554 1/20 0.31
HDAC3 O15379 1/20 0.31
NCOR2 Q9Y618 1/20 0.31

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 0.92 CA14 (0.42) CA14CA12CA1HDAC1HDAC2
SCHEMBL752843 0.87 CA14 (0.40) CA14CA12CA1HDAC1HDAC2
SCHEMBL2486327 0.86 CA14 (0.42) CA14HDAC1HDAC2HDAC6RECQL
SCHEMBL25969918 0.81 CA14 (0.54) CA14MMP1MMP2MMP3MMP8
SCHEMBL755177 0.79 CA14 (0.35) CA14HDAC1HDAC2HDAC6RECQL
SCHEMBL18759028 0.78 CA14 (0.47) CA14MMP1MMP2MMP3MMP8
SCHEMBL8285770 0.77 CA14 (0.51) CA14MMP1MMP2MMP3MMP8
SCHEMBL16486684 0.76 CA14 (0.49) CA14DNM1CA12CA1CA9
SCHEMBL14755630 0.76 CA14 (0.54) CA14MMP1MMP2MMP3MMP8
SCHEMBL8021973 0.76 CA14 (0.54) CA14MMP1MMP2MMP3MMP8

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
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
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-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 4756/4885MMP1 3068/4885MMP2 3607/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA14 4336/4885MMP1 1954/4885MMP2 2710/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA14 4336/4885MMP1 1954/4885MMP2 2710/4885

“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.