SCHEMBL2476261

SCHEMBL2476261

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.37
OPRM1 P35372 1/20 0.35
HDAC4 P56524 1/20 0.35
CETP P11597 4/20 0.35
NR1H4 Q96RI1 2/20 0.34
RORC P51449 1/20 0.34
S1PR1 P21453 4/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NOTUM Q6P988 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL2474605 0.91 RARB (0.45) RARBHDAC4CETPRORCS1PR1
SCHEMBL2473825 0.91 RARB (0.38) RARBHDAC4CETPRORCS1PR1
SCHEMBL2468846 0.89 OPRM1 (0.37) OPRM1CETPS1PR1MAPTALDH1A1
SCHEMBL3462269 0.88 MAPT (0.38) RARBOPRM1S1PR1MAPTALDH1A1
SCHEMBL2472183 0.87 OPRM1 (0.36) OPRM1NR1H4S1PR1MAPTALDH1A1
SCHEMBL2475496 0.85 S1PR1 (0.45) S1PR1S1PR5
SCHEMBL2469004 0.84 S1PR1 (0.38) RARBHDAC4RORCS1PR1S1PR5
SCHEMBL2833784 0.83 S1PR1 (0.38) RARBRORCS1PR1S1PR5
SCHEMBL2473246 0.83 S1PR1 (0.34) S1PR1S1PR5
SCHEMBL13262776 0.81 S1PR1 (0.37) RARBS1PR1S1PR5

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
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP 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 RARB 2538/4885OPRM1 224/4885HDAC4 1860/4885

“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.