SCHEMBL4068100

SCHEMBL4068100

COc1cccc(-c2cnc(C=O)n2COCC[Si](C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 10/20 0.40
TP53 P04637 2/20 0.39
GAA P10253 2/20 0.39
THRB P10828 1/20 0.39
BRD9 Q9H8M2 1/20 0.38
PAX8 Q06710 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
MAPT P10636 2/20 0.37
RIPK2 O43353 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL4065251 0.85 TDP1 (0.40) MAPTALDH1A1TDP1KDM4E
SCHEMBL4064875 0.80 F11 (0.32) MAPTTDP1KDM4E
SCHEMBL27596081 0.79 FYN (0.37) FYNGAAPAX8RIPK2ALDH1A1
SCHEMBL27596318 0.78 DGAT1 (0.32) FYNPAX8
SCHEMBL4065179 0.78 EGFR (0.32)
SCHEMBL4064489 0.77 ALDH1A1 (0.38) TP53GAAMAPTALDH1A1KDM4E
SCHEMBL4064922 0.76 BRD9 (0.46) FYNTP53GAATHRBBRD9
SCHEMBL23859770 0.74 FFAR4 (0.42) FYNGAAALDH1A1KDM4E
SCHEMBL25586533 0.72 DGAT1 (0.36) MAPT
SCHEMBL9958624 0.72 NPC1 (0.33) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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 (3 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 FYN 1474/4885TP53 2483/4885GAA 4680/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 FYN 1349/4885TP53 1795/4885GAA 4607/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 FYN 1474/4885TP53 2483/4885GAA 4680/4885

“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.