SCHEMBL15801151

SCHEMBL15801151

CCCCCCCCCCN(CCO)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.54
SSTR4 P31391 1/20 0.40
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 3/20 0.38
CA2 P00918 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ZDHHC20 Q5W0Z9 2/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
MGLL Q99685 1/20 0.35
HDAC3 O15379 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL13527824 0.93 CA14 (0.54) CA14SSTR4CA12CA1CA9
SCHEMBL3024648 0.93 CA14 (0.53) CA14SSTR4CA12CA1CA9
SCHEMBL136485 0.93 CA14 (0.55) CA14CA12CA1CA9CA2
SCHEMBL10418789 0.93 CA14 (0.59) CA14SSTR4CA12CA1HDAC1
SCHEMBL140146 0.93 CA14 (0.55) CA14CA12CA1CA9CA2
SCHEMBL1962811 0.93 CA14 (0.55) CA14CA12CA1CA9CA2
SCHEMBL133198 0.93 CA14 (0.55) CA14CA12CA1CA9CA2
SCHEMBL14755630 0.91 CA14 (0.54) CA14CA12CA1CA9CA2
SCHEMBL7493667 0.90 CA14 (0.46) CA14LMNAHSD17B10KMT2A
SCHEMBL18163279 0.90 CA14 (0.53) CA14CA12CA1CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS RQX PHARMACEUTICALS, INC. 2016-07-07 US disclosed
EP-3033352-A1 LINEAR PEPTIDE ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2016-06-22 EP disclosed
WO-2015023898-A1 LINEAR PEPTIDE ANTIBIOTCS RQX PHARMACEUTICALS, INC. (US) 2015-02-19 WO disclosed
US-20140171357-A1 VANCOMYCIN DERIVATIVES SEACHAID PHARMACEUTICALS, INC. (US) 2014-06-19 US disclosed
US-20140171357-A1 VANCOMYCIN DERIVATIVES SEACHAID PHARMACEUTICALS, INC. (US) 2014-06-19 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 (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-20140171357-A1 VANCOMYCIN DERIVATIVES VIP, NOD2, NRDC CA14 4434/4885SSTR4 2417/4885CA12 4660/4885
US-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS ANPEP, NPEPPS, PEPD CA14 3895/4885SSTR4 1072/4885CA12 3720/4885

“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.