SCHEMBL1940488

SCHEMBL1940488

CN(C(=O)OC(C)(C)C)c1cc(C(O[SiH](C)C)C(C)(C)C)ccn1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.35
PAX8 Q06710 1/20 0.35
USP30 Q70CQ3 1/20 0.34
KDM4D Q6B0I6 1/20 0.32
SSTR4 P31391 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
SCHEMBL15070166 0.81 AAK1 (0.39) AAK1PAX8USP30KDM4DSSTR4
SCHEMBL1940995 0.75 GSK3B (0.40) AAK1
SCHEMBL828662 0.74 NPC1 (0.42) AAK1PAX8USP30SSTR4
SCHEMBL6170313 0.74 ALDH1A1 (0.36)
SCHEMBL25295526 0.73 SSTR4 (0.40) AAK1PAX8USP30SSTR4
SCHEMBL29650144 0.73 CNR2 (0.42) AAK1PAX8USP30SSTR4
SCHEMBL12678539 0.73 SSTR4 (0.40) AAK1PAX8USP30SSTR4
SCHEMBL29417518 0.73 USP30 (0.39) AAK1PAX8USP30SSTR4
SCHEMBL29580743 0.73 SSTR4 (0.40) AAK1PAX8USP30SSTR4
SCHEMBL3928632 0.73 CNR2 (0.42) AAK1PAX8USP30SSTR4

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
EP-1717229-B1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO LTD (JP) 2011-06-15 EP disclosed
US-7544703-B2 Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
EP-1717229-A1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP 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-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 AAK1 4187/4885PAX8 1121/4885USP30 4356/4885

“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.