SCHEMBL13192604

SCHEMBL13192604

COC(=O)CCN(CCC#N)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.48
PAX8 Q06710 1/20 0.48
POLB P06746 2/20 0.46
ABCB1 P08183 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTSL P07711 3/20 0.40
CTSS P25774 3/20 0.40
CTSB P07858 2/20 0.40

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
SCHEMBL13192773 0.89 POLB (0.47) CCR6PAX8POLBABCB1MEN1
SCHEMBL3968828 0.87 CCR6 (0.54) CCR6PAX8ABCB1KMT2AALDH1A1
SCHEMBL25448884 0.85 CCR6 (0.52) CCR6PAX8ABCB1ALDH1A1TSHR
SCHEMBL25448882 0.84 CCR6 (0.51) CCR6PAX8ABCB1ALDH1A1KDM4E
SCHEMBL18745410 0.82 MEN1 (0.43) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL12747675 0.80 POLB (0.45) CCR6PAX8POLBMEN1KMT2A
SCHEMBL9547229 0.79 POLB (0.46) CCR6PAX8POLBMEN1KMT2A
SCHEMBL31629174 0.78 CCR6 (0.62) CCR6PAX8KMT2AALDH1A1LMNA
SCHEMBL27374010 0.78 CCR6 (0.48) CCR6PAX8POLBMEN1KMT2A
SCHEMBL10478127 0.78 ABCB1 (0.53) CCR6PAX8ABCB1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624239-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-04-18 US disclosed
US-20140045833-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2014-02-13 US disclosed
WO-2012135944-A9 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2014-01-09 WO disclosed
WO-2012135944-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2012-10-11 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-20140045833-A1 Protein Kinase Inhibitors LCK, BTK, TEC CCR6 650/4885PAX8 3675/4885POLB 4348/4885

“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.