SCHEMBL1609353

SCHEMBL1609353

CC(C)Oc1ccc(-c2nc(-c3ccc4cc[nH]c4c3)no2)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.65
S1PR3 Q99500 4/20 0.60
MAP4K4 O95819 3/20 0.55
MINK1 Q8N4C8 3/20 0.55
PRKCD Q05655 1/20 0.55
DYRK3 O43781 1/20 0.52
MARK3 P27448 1/20 0.52
PLK1 P53350 1/20 0.52
MAP4K5 Q9Y4K4 1/20 0.52

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
SCHEMBL2335415 0.91 S1PR1 (0.62) S1PR1S1PR3MAP4K4MINK1PRKCD
SCHEMBL404150 0.91 S1PR1 (0.62) S1PR1S1PR3MAP4K4MINK1PRKCD
SCHEMBL3741047 0.87 S1PR1 (0.73) S1PR1S1PR3MAP4K4MINK1PRKCD
SCHEMBL1609855 0.85 S1PR1 (0.54) S1PR1S1PR3MAP4K4MINK1PRKCD
SCHEMBL13045365 0.82 S1PR1 (0.64) S1PR1S1PR3MAP4K4MINK1PRKCD
SCHEMBL399937 0.82 S1PR1 (0.63) S1PR1S1PR3MAP4K4MINK1PRKCD
SCHEMBL1969015 0.81 S1PR1 (0.57) S1PR1S1PR3
SCHEMBL2123456 0.81 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL1966006 0.80 S1PR1 (0.81) S1PR1S1PR3MAP4K4MINK1PRKCD
SCHEMBL3741171 0.80 MAP4K4 (0.65) S1PR1S1PR3MAP4K4MINK1PRKCD

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-8217028-B2 1,2,4-oxadiazole indole compounds GLAXO GROUP LIMITED (GB) 2012-07-10 US disclosed
US-20110086839-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-14 US disclosed
US-20100029729-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-02-04 US disclosed
US-20100010053-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-14 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 (3 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-20100029729-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 S1PR1 2320/4885S1PR3 1694/4885MAP4K4 3026/4885
US-20100010053-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 S1PR1 2320/4885S1PR3 1694/4885MAP4K4 3026/4885
US-20110086839-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 S1PR1 2320/4885S1PR3 1694/4885MAP4K4 3026/4885

“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.