SCHEMBL2344265

SCHEMBL2344265

O=C(OCNCc1ccc(-c2nc(-c3ccc(N4CCC(F)CC4)c(C(F)(F)F)c3)no2)cc1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.43
DYRK3 O43781 1/20 0.41
MAP4K4 O95819 1/20 0.41
ERBB2 P04626 1/20 0.41
PIM1 P11309 1/20 0.41
MARK3 P27448 1/20 0.41
PLK1 P53350 1/20 0.41
CAMK2B Q13554 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41
PIM3 Q86V86 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
SRPK1 Q96SB4 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MAP3K20 Q9NYL2 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC5 Q9UQL6 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
SCHEMBL12391416 0.86 S1PR1 (0.48) S1PR1
SCHEMBL1966491 0.82 S1PR1 (0.43) S1PR1
SCHEMBL1966474 0.82 S1PR1 (0.43) S1PR1HDAC1HDAC8
SCHEMBL1962845 0.82 S1PR1 (0.43) S1PR1HDAC1HDAC8HDAC6
SCHEMBL2338166 0.82 S1PR1 (0.44) S1PR1DYRK3MAP4K4ERBB2PIM1
SCHEMBL1965881 0.81 S1PR1 (0.44) S1PR1DYRK3MAP4K4ERBB2PIM1
SCHEMBL2346237 0.80 S1PR1 (0.43) S1PR1
SCHEMBL1966293 0.79 S1PR1 (0.64) S1PR1
SCHEMBL1964749 0.79 S1PR1 (0.43) S1PR1
SCHEMBL1964101 0.77 S1PR1 (0.58) S1PR1

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-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 S1PR1 2/4885DYRK3 2951/4885MAP4K4 2535/4885

“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.