SCHEMBL1967439

SCHEMBL1967439

CC(C)Oc1ccc(-c2noc(-c3ccc4c(c3)CCCN4C)n2)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.65
S1PR3 Q99500 5/20 0.61
MAP4K4 O95819 1/20 0.51
MINK1 Q8N4C8 1/20 0.51

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
SCHEMBL2341880 0.84 S1PR1 (0.73) S1PR1S1PR3
SCHEMBL1964998 0.84 S1PR1 (0.66) S1PR1S1PR3MAP4K4MINK1
SCHEMBL3741047 0.82 S1PR1 (0.73) S1PR1S1PR3MAP4K4MINK1
SCHEMBL12391653 0.81 S1PR1 (0.64) S1PR1S1PR3MAP4K4MINK1
SCHEMBL26110900 0.80 S1PR1 (0.53) S1PR1S1PR3MAP4K4MINK1
SCHEMBL13045463 0.80 S1PR1 (0.75) S1PR1S1PR3MAP4K4MINK1
SCHEMBL2991967 0.79 S1PR1 (1.00) S1PR1S1PR3MAP4K4MINK1
SCHEMBL566670 0.78 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL3057688 0.78 S1PR1 (0.71) S1PR1S1PR3MAP4K4MINK1
Hydrochloric Acid SCHEMBL2992238 0.78 S1PR1 (0.98) S1PR1S1PR3MAP4K4MINK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP claimed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US claimed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO claimed
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
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US 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
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 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 (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 2/4885S1PR3 1/4885MAP4K4 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.