SCHEMBL4742935

SCHEMBL4742935

C#CCNNC(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.34
CA3 P07451 2/20 0.32
CA5A P35218 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
CA12 O43570 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL68609 0.77 SMN1; SMN2 (0.50) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL3262883 0.72
Hydrochloric Acid SCHEMBL29141671 0.70 MAOB (0.31) CA2
SCHEMBL30303131 0.70
SCHEMBL2884635 0.69 CA2 (0.59) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL7778678 0.68 CA2 (0.40) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL2818988 0.68 CA2 (0.36) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL7066153 0.67 EPHX1 (0.63) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL15289984 0.67 APLNR (0.42) CA2POLBMEN1KMT2ACA12
SCHEMBL28342996 0.67 ALDH1A1 (0.43) CA2ALDH1A1POLBSMN1; SMN2MEN1

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
EP-1308452-B1 Oligonucleotide labeling reactants based on acyclonucleosides and conjugates derived thereof WALLAC OY (FI) 2008-03-19 EP disclosed
US-7282581-B2 Oligonucleotide labeling reactants based on acyclonucleosides and conjugates derived thereof WALLAC OY (FI) 2007-10-16 US disclosed
US-20030118999-A1 Oligonucleotide labeling reactants based on acyclonucleosides and conjugates derived thereof WALLAC OY (FI) 2003-06-26 US disclosed
EP-1308452-A2 Oligonucleotide labeling reactants based on acyclonucleosides and conjugates derived thereof WALLAC OY (FI) 2003-05-07 EP 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-20030118999-A1 Oligonucleotide labeling reactants based on acyclonucleosides and conjugates derived thereof PCNA, DUT, POLL CA2 1502/4885ALDH1A1 1108/4885POLB 347/4885

“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.