SCHEMBL2471650

SCHEMBL2471650

CCn1nc(-c2nc(-c3cnc4[nH]ccc4c3)no2)c2c1CC(C)(C)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.35
ABL1 P00519 3/20 0.35
SRC P12931 3/20 0.35
FYN P06241 2/20 0.35
YES1 P07947 2/20 0.35
RET P07949 2/20 0.35
PIK3CA P42336 3/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
CDK8 P49336 3/20 0.34
RICTOR Q6R327 6/20 0.34
MAPKAP1 Q9BPZ7 6/20 0.34
MLST8 Q9BVC4 6/20 0.34
S1PR1 P21453 3/20 0.34
MAP3K12 Q12852 1/20 0.34
KDR P35968 2/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL2473153 0.88 MTOR (0.41) MTORABL1SRCFYNRET
SCHEMBL2469840 0.87 S1PR1 (0.46) MTORPIK3CAS1PR1S1PR3LRRK2
SCHEMBL2473761 0.81 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL2831128 0.81 S1PR1 (0.39) S1PR1S1PR3
SCHEMBL2474330 0.81 S1PR1 (0.34) S1PR1S1PR3
SCHEMBL2470503 0.80 S1PR1 (0.38) S1PR1S1PR3
SCHEMBL2473513 0.80 PSMD11 (0.38) S1PR1S1PR3
SCHEMBL3463743 0.80 S1PR1 (0.38) PIK3CDS1PR1S1PR3
SCHEMBL2472055 0.79 S1PR1 (0.36) S1PR1S1PR3
SCHEMBL2472586 0.79 S1PR1 (0.44) S1PR1S1PR3

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-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP claimed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO claimed
EP-2455080-A1 S1P1 receptor agonists for use in the treatment of multiple sclerosis Almirall, S.A. (ES) 2012-05-23 EP disclosed
EP-2455081-A1 S1P1 receptor agonists for use in the treatment of crohn's disease 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

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 MTOR 2736/4885ABL1 2592/4885SRC 2236/4885

“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.