SCHEMBL745378

SCHEMBL745378

CC(C)(C)OC(=O)N(CCO)CCN(CCO)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.51
SSTR4 P31391 1/20 0.47
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA7 P43166 1/20 0.33
HDAC3 O15379 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
DGAT1 O75907 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ASGR1 P07306 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
P2RX3 P56373 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 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
SCHEMBL503444 0.98 CA14 (0.53) CA14SSTR4HDAC6HDAC1HDAC2
SCHEMBL28584989 0.96 CA14 (0.51) CA14SSTR4HDAC6HDAC1HDAC2
SCHEMBL27252832 0.90 CA14 (0.55) CA14SSTR4HDAC6HDAC1HDAC2
SCHEMBL1031568 0.90 CA14 (0.47) CA14SSTR4HDAC6HDAC1HDAC2
SCHEMBL10418789 0.90 CA14 (0.59) CA14SSTR4HDAC6HDAC1HDAC2
SCHEMBL16471754 0.88 CA14 (0.46) CA14SSTR4HDAC6HDAC1HDAC2
SCHEMBL4696802 0.88 CA14 (0.46) CA14SSTR4HDAC6HDAC1HDAC2
SCHEMBL13661113 0.88 CA14 (0.50) CA14SSTR4HDAC6HDAC1HDAC2
SCHEMBL896291 0.88 CA14 (0.45) CA14SSTR4HDAC6HDAC1HDAC2
SCHEMBL23857521 0.87 CA14 (0.45) CA14SSTR4HDAC6HDAC1HDAC2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430001-B1 METHODS FOR THE PREPARATION OF AMPHIPHILIC NITROGEN CONTAINING IMIDAZOLINIUM DERIVATIVE COMPOUNDS JUVARIS BIOTHERAPEUTICS INC (US) 2013-12-11 EP disclosed
EP-2430001-A1 METHODS FOR THE PREPARATION OF AMPHIPHILIC NITROGEN CONTAINING IMIDAZOLINIUM DERIVATIVE COMPOUNDS Juvaris Biotherapeutics, Inc. (US) 2012-03-21 EP disclosed
US-8044215-B2 Methods for the preparation of amphillic nitrogen containing imidazolinium derivative compounds JUVARIS BIOTHERAPEUTICS, INC. (US) 2011-10-25 US disclosed
US-8044215-B2 Methods for the preparation of amphillic nitrogen containing imidazolinium derivative compounds JUVARIS BIOTHERAPEUTICS, INC. (US) 2011-10-25 US disclosed
WO-2010126978-A1 METHODS FOR THE PREPARATION OF AMPHIPHILIC NITROGEN CONTAINING IMIDAZOLINIUM DERIVATIVE COMPOUNDS JUVARIS BIOTHERAPEUTICS, INC. (US) 2010-11-04 WO disclosed
WO-2010126978-A1 METHODS FOR THE PREPARATION OF AMPHIPHILIC NITROGEN CONTAINING IMIDAZOLINIUM DERIVATIVE COMPOUNDS JUVARIS BIOTHERAPEUTICS, INC. (US) 2010-11-04 WO disclosed
US-20100280258-A1 METHODS FOR THE PREPARATION OF AMPHILLIC NITROGEN CONTAINING IMIDAZOLINIUM DERIVATIVE COMPOUNDS JUVARIS BIOTHERAPEUTICS, INC. (US) 2010-11-04 US disclosed
US-20100280258-A1 METHODS FOR THE PREPARATION OF AMPHILLIC NITROGEN CONTAINING IMIDAZOLINIUM DERIVATIVE COMPOUNDS JUVARIS BIOTHERAPEUTICS, INC. (US) 2010-11-04 US 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 (1 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-20100280258-A1 METHODS FOR THE PREPARATION OF AMPHILLIC NITROGEN CONTAINING IMIDAZOLINIUM DERIVATIVE COMPOUNDS NDC1, NUP205, NUP188 CA14 3792/4885SSTR4 2855/4885HDAC6 1818/4885

“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.