SCHEMBL2833784

SCHEMBL2833784

CCn1nc(-c2nc(-c3ccc(CCC(=O)OC(C)(C)C)cc3C(F)(F)F)no2)c2c1CC(C)(C)CC2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.38
S1PR5 Q9H228 9/20 0.38
S1PR3 Q99500 8/20 0.38
KIT P10721 1/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC5 Q9UQL6 1/20 0.31
RARB P10826 1/20 0.31
RORC P51449 2/20 0.31

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
SCHEMBL13262792 0.91 S1PR1 (0.38) S1PR1S1PR5S1PR3KITHDAC1
SCHEMBL2475496 0.91 S1PR1 (0.45) S1PR1S1PR5S1PR3
SCHEMBL2469004 0.90 S1PR1 (0.38) S1PR1S1PR5S1PR3RARBRORC
SCHEMBL13262776 0.88 S1PR1 (0.37) S1PR1S1PR5S1PR3RARB
SCHEMBL16503773 0.86 S1PR1 (0.36) S1PR1S1PR5S1PR3
SCHEMBL16503778 0.86 S1PR1 (0.40) S1PR1S1PR5S1PR3KITHDAC1
SCHEMBL2473246 0.86 S1PR1 (0.34) S1PR1S1PR5S1PR3
SCHEMBL2474151 0.85 S1PR1 (0.33) S1PR1S1PR5S1PR3
SCHEMBL2474605 0.84 RARB (0.45) S1PR1RARBRORC
SCHEMBL2476261 0.83 RARB (0.37) S1PR1S1PR5RARBRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 EP disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 EP 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR5 4/4885S1PR3 3/4885

“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.