SCHEMBL2177225

SCHEMBL2177225

CC[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
KIF11 P52732 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TK1 P04183 2/20 0.40
KCNH2 Q12809 2/20 0.39
CPA3 P15088 1/20 0.39
FOLH1 Q04609 1/20 0.39
GRIN2D O15399 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
OPRM1 P35372 2/20 0.38
CACNA1F O60840 1/20 0.38
ABCB1 P08183 1/20 0.38
CYP2B6 P20813 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
OPRD1 P41143 1/20 0.38

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
SCHEMBL9365526 0.79 KIF11 (0.43) CYP1A2KIF11KMT2ATK1KCNH2
SCHEMBL9365537 0.79 KIF11 (0.43) CYP1A2KIF11KMT2ATK1KCNH2
SCHEMBL4771137 0.77 TK1 (0.48) KIF11TK1KCNH2GRIN2DGRIN1
SCHEMBL21087595 0.77 TK1 (0.48) KIF11TK1KCNH2GRIN2DGRIN1
SCHEMBL23215946 0.77 TK1 (0.45) KIF11TK1DUT
SCHEMBL23216478 0.77 TK1 (0.45) KIF11TK1DUT
SCHEMBL4794864 0.77 TK1 (0.45) KIF11TK1DUT
SCHEMBL23215125 0.77 KIF11 (0.41) KIF11TK1DUTPPARG
SCHEMBL23215123 0.77 KIF11 (0.41) KIF11TK1DUTPPARG
SCHEMBL23217333 0.77 KIF11 (0.41) KIF11TK1DUTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US 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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMP CYP1A2 154/4885KIF11 4261/4885KMT2A 1997/4885

“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.