SCHEMBL4068252

SCHEMBL4068252

COc1c(Br)cccc1-c1cncn1COCC[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.36
IGF1R P08069 1/20 0.36
SRC P12931 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
EPHB4 P54760 1/20 0.36
TEK Q02763 1/20 0.36
DGAT1 O75907 4/20 0.35
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
P2RX7 Q99572 1/20 0.32
IDO1 P14902 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HTR1A P08908 2/20 0.31
HTR7 P34969 2/20 0.31
HTR6 P50406 2/20 0.31

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
SCHEMBL22234396 0.77 CYP11B1 (0.47) DGAT1BRD4CREBBPP2RX7IDO1
SCHEMBL203831 0.75 CYP11B1 (0.48) DGAT1IDO1CYP11B1CYP11B2HTR1A
SCHEMBL4065179 0.75 EGFR (0.32) EGFRIGF1RSRCFLT4KDR
SCHEMBL2144217 0.75 CYP11B1 (0.40) DGAT1BRD4CREBBPIDO1CYP11B1
SCHEMBL4064922 0.75 BRD9 (0.46) SRCCYP11B1CYP11B2
SCHEMBL26693782 0.74 CYP11B1 (0.51) DGAT1IDO1CYP11B1CYP11B2
SCHEMBL4062723 0.73 CYP11B1 (0.50) DGAT1IDO1CYP11B1CYP11B2
SCHEMBL14859021 0.72 DGAT1 (0.42) DGAT1CYP11B1CYP11B2
SCHEMBL30099423 0.71 TGFBR1 (0.38) DGAT1
SCHEMBL22075678 0.71 CYP11B1 (0.43) DGAT1IDO1CYP11B1CYP11B2

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 EGFR 504/4885IGF1R 1541/4885SRC 1596/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 EGFR 630/4885IGF1R 1047/4885SRC 1348/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 EGFR 504/4885IGF1R 1541/4885SRC 1596/4885

“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.