SCHEMBL3089018

SCHEMBL3089018

CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNC(C(=O)O)CO4)no2)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 1.00
S1PR3 Q99500 7/20 1.00
MAP4K4 O95819 2/20 0.55
MINK1 Q8N4C8 2/20 0.55
DYRK3 O43781 1/20 0.54
MARK3 P27448 1/20 0.54
PLK1 P53350 1/20 0.54
MAP4K5 Q9Y4K4 1/20 0.54

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
Hydrochloric Acid SCHEMBL3090896 0.99 S1PR1 (0.98) S1PR1S1PR3MAP4K4MINK1DYRK3
SCHEMBL2916454 0.86 S1PR1 (1.00) S1PR1S1PR3MAP4K4MINK1
Hydrochloric Acid SCHEMBL2909608 0.86 S1PR1 (0.98) S1PR1S1PR3MAP4K4MINK1
SCHEMBL3082266 0.86 S1PR1 (0.80) S1PR1S1PR3MAP4K4MINK1
Hydrochloric Acid SCHEMBL2918694 0.85 S1PR1 (0.79) S1PR1S1PR3MAP4K4MINK1
SCHEMBL2991872 0.80 S1PR1 (1.00) S1PR1S1PR3MAP4K4MINK1
Hydrochloric Acid SCHEMBL2986454 0.79 S1PR1 (0.98) S1PR1S1PR3MAP4K4MINK1
SCHEMBL2908932 0.78 S1PR1 (0.64) S1PR1S1PR3MAP4K4MINK1DYRK3
SCHEMBL3741047 0.76 S1PR1 (0.73) S1PR1S1PR3MAP4K4MINK1DYRK3
SCHEMBL1966006 0.76 S1PR1 (0.81) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2010-10-28 US claimed
US-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
US-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
WO-2009080730-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2009-07-02 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-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES SSB, RORC, OXA1L S1PR1 605/4885S1PR3 505/4885MAP4K4 2723/4885

“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.