SCHEMBL17280299

SCHEMBL17280299

CCCCCCCCCCCCCCN(CC(C)=O)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.46
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA9 Q16790 3/20 0.37
CA2 P00918 1/20 0.37
CES2 O00748 4/20 0.36
ZDHHC20 Q5W0Z9 2/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
MGLL Q99685 1/20 0.34
HDAC3 O15379 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
CA7 P43166 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL21838011 0.90 CA14 (0.46) CA14HDAC1HDAC2HDAC6CA12
SCHEMBL21838017 0.89 CA14 (0.47) CA14HDAC1HDAC2HDAC6CA12
SCHEMBL136485 0.88 CA14 (0.55) CA14HDAC1HDAC2HDAC6CA12
SCHEMBL133198 0.88 CA14 (0.55) CA14HDAC1HDAC2HDAC6CA12
SCHEMBL1962811 0.88 CA14 (0.55) CA14HDAC1HDAC2HDAC6CA12
SCHEMBL140146 0.88 CA14 (0.55) CA14HDAC1HDAC2HDAC6CA12
SCHEMBL20561267 0.88 CA14 (0.47) CA14HDAC1HDAC2HDAC6CA12
SCHEMBL19032434 0.88 CA14 (0.47) CA14HDAC1HDAC2HDAC6CA12
SCHEMBL15882860 0.88 CA14 (0.47) CA14HDAC1HDAC2HDAC6CA12
SCHEMBL10727968 0.87 CA14 (0.46) CA14HDAC1HDAC2HDAC6CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676818-B2 Toll-like receptor 2-agonistic lipopeptides, and method of making the same UNIVERSITY OF KANSAS (US) 2017-06-13 US disclosed
US-20150337009-A1 TOLL-LIKE RECEPTOR 2-AGONISTIC LIPOPEPTIDES, AND METHOD OF MAKING THE SAME UNIVERSITY OF KANSAS 2015-11-26 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-20150337009-A1 TOLL-LIKE RECEPTOR 2-AGONISTIC LIPOPEPTIDES, AND METHOD OF MAKING THE SAME TLR2, TLR3, TLR1 CA14 4806/4885HDAC1 4094/4885HDAC2 3223/4885

“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.