SCHEMBL2180294

SCHEMBL2180294

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.39
KIF11 P52732 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
DUT P33316 1/20 0.36
GRIN2D O15399 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
OPRM1 P35372 2/20 0.36
CACNA1F O60840 1/20 0.36
ABCB1 P08183 1/20 0.36
CYP2B6 P20813 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
SCHEMBL4535864 0.84 CYP2C19 (0.37) TK1KIF11CYP2C19HIF1AKMT2A
SCHEMBL12409617 0.84 CYP2C19 (0.37) TK1KIF11CYP2C19HIF1AKMT2A
SCHEMBL4535689 0.84 SMN1; SMN2 (0.41) TK1KMT2AABCB1POLBSMN1; SMN2
SCHEMBL4527231 0.80 KIF11 (0.36) TK1KIF11CYP2C19HIF1AKMT2A
SCHEMBL4525211 0.78 KIF11 (0.44) TK1KIF11CYP2C19KMT2AALOX15
SCHEMBL2178034 0.78 KIF11 (0.44) TK1KIF11CYP2C19KMT2AALOX15
SCHEMBL40498 0.77 KIF11 (0.50) KIF11CYP2C19HIF1AKMT2AALOX15
SCHEMBL9365537 0.77 KIF11 (0.43) TK1KIF11CYP2C19HIF1AKMT2A
SCHEMBL7926252 0.77 KIF11 (0.52) TK1KIF11CYP2C19HIF1AALOX15
SCHEMBL9365526 0.77 KIF11 (0.43) TK1KIF11CYP2C19HIF1AKMT2A

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 TK1 175/4885KIF11 4261/4885CYP2C19 72/4885

“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.