SCHEMBL5476352

SCHEMBL5476352

CC(O)(C(=O)c1ccc(F)cc1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 6/20 0.57
ABCC8 Q09428 6/20 0.57
KCNJ11 Q14654 6/20 0.57
KCNJ8 Q15842 6/20 0.57
CA2 P00918 3/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CA1 P00915 2/20 0.43
PLOD2 O00469 1/20 0.43
HSD11B1 P28845 1/20 0.42
PDK2 Q15119 7/20 0.41
PDK1 Q15118 5/20 0.41
PDK3 Q15120 5/20 0.41
PDK4 Q16654 5/20 0.41
ABCB11 O95342 1/20 0.41
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
PTPN1 P18031 1/20 0.39

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
SCHEMBL9859948 0.83 CES1 (0.50) ABCC9ABCC8KCNJ11KCNJ8CA2
SCHEMBL5466629 0.81 CES2 (0.52) ABCC9ABCC8KCNJ11KCNJ8CA2
SCHEMBL7804393 0.81 CES1 (0.52) ABCC9ABCC8KCNJ11KCNJ8CA2
SCHEMBL14506290 0.79 ALDH1A1 (0.52) CA2
SCHEMBL5698489 0.79 CES1 (0.50) ABCC9ABCC8KCNJ11KCNJ8CA2
SCHEMBL2625487 0.79 CES2 (0.54) ABCC9ABCC8KCNJ11KCNJ8CA2
SCHEMBL2696027 0.77 CES2 (0.52) ABCC9ABCC8KCNJ11KCNJ8CA2
SCHEMBL1272402 0.77 CES1 (0.52) ABCC9ABCC8KCNJ11KCNJ8CA2
SCHEMBL22874628 0.76 CES2 (0.56) CA2CES2CES1CA1PLOD2
SCHEMBL16823 0.76 CES1 (0.62) CA2CES2CES1CA1PLOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070134737-A1 Fluorophore compounds and their use in biological systems STANFORD UNIVERSITY (US) 2007-06-14 US disclosed
US-20070134737-A1 Fluorophore compounds and their use in biological systems STANFORD UNIVERSITY (US) 2007-06-14 US disclosed
WO-2005005956-A2 FLUOROPHORE COMPOUNDS AND THEIR USE IN BIOLOGICAL SYSTEMS STANFORD UNIVERSITY (US) 2005-01-20 WO disclosed
US-20050009109-A1 FLUOROPHORE COMPOUNDS AND THEIR USE IN BIOLOGICAL SYSTEMS STANFORD UNIVERSITY (US) 2005-01-13 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-20070134737-A1 Fluorophore compounds and their use in biological systems DHODH, DUT, DPYD ABCC9 3883/4885ABCC8 3359/4885KCNJ11 4297/4885

“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.