SCHEMBL17829913

SCHEMBL17829913

CCN(CCCC(C)N)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.41
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TP53 P04637 1/20 0.35
CTSK P43235 3/20 0.34
OPRM1 P35372 1/20 0.33
DPP4 P27487 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32

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
SCHEMBL27273740 1.00 CA14 (0.41) CA14HDAC6HDAC1HDAC2TP53
SCHEMBL566433 0.86 CA14 (0.47) CA14HDAC6HDAC1HDAC2TP53
SCHEMBL6517339 0.82 HDAC6 (0.41) CA14HDAC6HDAC1HDAC2TP53
SCHEMBL15085740 0.81 CA14 (0.53) CA14HDAC6HDAC1HDAC2CTSK
SCHEMBL16125928 0.80 CA14 (0.39) CA14HDAC6HDAC1HDAC2CTSK
SCHEMBL6674630 0.80 CA14 (0.45) CA14HDAC6HDAC1HDAC2CTSK
SCHEMBL19891780 0.80 DPP4 (0.37) CA14HDAC6HDAC1HDAC2CTSK
SCHEMBL567791 0.80 CA14 (0.47) CA14HDAC6HDAC1HDAC2TDP1
SCHEMBL567758 0.80 CA14 (0.47) CA14HDAC6HDAC1HDAC2TDP1
SCHEMBL27854122 0.80 CA14 (0.47) CA14HDAC6HDAC1HDAC2TDP1

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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 CA14 4798/4885HDAC6 3490/4885HDAC1 3135/4885

“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.