SCHEMBL2472055

SCHEMBL2472055

CCn1nc(-c2nc(-c3ccc(OC)nc3)no2)c2c1CC(C)(C)CC2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HSD11B1 P28845 1/20 0.35
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MAPT P10636 1/20 0.33
S1PR3 Q99500 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GABRA1 P14867 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
USP30 Q70CQ3 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
SCHEMBL2470037 0.95 S1PR1 (0.33) S1PR1HDAC1HDAC8HDAC6HSD11B1
SCHEMBL2472586 0.88 S1PR1 (0.44) S1PR1HDAC1HDAC6S1PR3SMN1; SMN2
SCHEMBL2474330 0.87 S1PR1 (0.34) S1PR1MAPTS1PR3SMN1; SMN2
SCHEMBL2470619 0.84 S1PR1 (0.32) S1PR1MAPTS1PR3
SCHEMBL3463743 0.84 S1PR1 (0.38) S1PR1S1PR3
SCHEMBL2473761 0.83 S1PR1 (0.49) S1PR1MAPTS1PR3SMN1; SMN2
SCHEMBL2472413 0.82 CA9 (0.46) S1PR1CA1CA2
SCHEMBL2458148 0.82 S1PR1 (0.37) S1PR1MAPTS1PR3SMN1; SMN2
SCHEMBL2469504 0.82 S1PR1 (0.41) S1PR1MAPTS1PR3SMN1; SMN2
SCHEMBL2474869 0.81 S1PR1 (0.38) S1PR1MAPTS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2455081-A1 S1P1 receptor agonists for use in the treatment of crohn's disease Almirall, S.A. (ES) 2012-05-23 EP claimed
EP-2455080-A1 S1P1 receptor agonists for use in the treatment of multiple sclerosis Almirall, S.A. (ES) 2012-05-23 EP claimed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US claimed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 EP claimed
EP-2455081-A1 S1P1 receptor agonists for use in the treatment of crohn's disease Almirall, S.A. (ES) 2012-05-23 EP disclosed
EP-2455080-A1 S1P1 receptor agonists for use in the treatment of multiple sclerosis Almirall, S.A. (ES) 2012-05-23 EP 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
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
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

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 1/4885HDAC1 1246/4885HDAC8 1815/4885

“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.