SCHEMBL1964098

SCHEMBL1964098

CC(C)Oc1ccc(C(=N)NO)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
S1PR3 Q99500 5/20 0.44
NOTUM Q6P988 1/20 0.41
HDAC8 Q9BY41 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DYRK3 O43781 1/20 0.38
MAP4K4 O95819 1/20 0.38
ERBB2 P04626 1/20 0.38
PIM1 P11309 1/20 0.38
MARK3 P27448 1/20 0.38
PLK1 P53350 1/20 0.38
CAMK2B Q13554 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
PIM3 Q86V86 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
SRPK1 Q96SB4 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL17654323 0.82 NOTUM (0.40) RXRARXRBRXRGS1PR3NOTUM
SCHEMBL3954181 0.82 RXRA (0.47) RXRARXRBRXRGS1PR3POLB
SCHEMBL1963358 0.79 PLAU (0.43) NOTUMHDAC8HDAC1HDAC6MEN1
SCHEMBL402684 0.78 RXRA (0.52) RXRARXRBRXRGS1PR3NOTUM
SCHEMBL24860963 0.78 NOTUM (0.60) RXRARXRBRXRGS1PR3NOTUM
SCHEMBL1963869 0.78 RORC (0.49) S1PR3HDAC8HDAC1HDAC6MAP4K4
SCHEMBL30440283 0.78 RXRA (0.54) RXRARXRBRXRGS1PR3NOTUM
SCHEMBL403300 0.78 RXRA (0.58) RXRARXRBRXRGS1PR3NOTUM
SCHEMBL17386570 0.78 RXRA (0.54) RXRARXRBRXRGS1PR3NOTUM
SCHEMBL177272 0.78 HDAC1 (0.43) HDAC8HDAC1HDAC6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
EP-2109364-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2009-10-21 EP disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 WO 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 (2 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 RXRA 2164/4885RXRB 1615/4885RXRG 1650/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 RXRA 2164/4885RXRB 1615/4885RXRG 1650/4885

“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.