SCHEMBL16501554

SCHEMBL16501554

C[C@@H](Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.52
LIPG Q9Y5X9 8/20 0.51
LPL P06858 7/20 0.51
F11 P03951 3/20 0.50
F2 P00734 2/20 0.50
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
TBXAS1 P24557 2/20 0.46
P4HB P07237 1/20 0.44
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL28980531 0.85 LIPG (0.56) ESR2LIPGLPLF11F2
SCHEMBL16501553 0.84 ESR2 (0.49) ESR2LIPGLPLF11F2
SCHEMBL12675946 0.84 SLC7A5 (0.53) ESR2LIPGLPLF11F2
SCHEMBL14672691 0.81 ESR2 (0.49) ESR2LIPGLPLF11F2
SCHEMBL4472450 0.81 ESR2 (0.49) ESR2LIPGLPLF11F2
SCHEMBL648399 0.80 LIPG (0.61) ESR2LIPGLPLF11F2
SCHEMBL5761714 0.79 PPARA (0.54) ESR2LIPGLPLF11F2
SCHEMBL17939953 0.79 P4HB (0.40) ESR2LIPGLPLF11F2
SCHEMBL7903372 0.78 F11 (0.50) ESR2LIPGLPLF11F2
SCHEMBL902460 0.78 LIPG (0.69) ESR2LIPGLPLF11F2

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-20110301349-A1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS TERSERA THERAPEUTICS LLC 2011-12-08 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-20110301349-A1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS DPYD, TYMP, NUDT1 ESR2 2524/4885LIPG 3808/4885LPL 3838/4885

“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.