SCHEMBL3463743

SCHEMBL3463743

CCn1nc(-c2nc(-c3cnc(OC)c(C)c3)no2)c2c1CC(C)(C)CC2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.38
S1PR3 Q99500 11/20 0.38
NR1H4 Q96RI1 1/20 0.31
TP53 P04637 1/20 0.30
PIK3CD O00329 1/20 0.30

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
SCHEMBL2831128 0.87 S1PR1 (0.39) S1PR1S1PR3
SCHEMBL2472055 0.84 S1PR1 (0.36) S1PR1S1PR3
SCHEMBL2472586 0.83 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL2473922 0.83 S1PR1 (0.41) S1PR1S1PR3
SCHEMBL2459813 0.81 S1PR1 (0.37) S1PR1S1PR3
SCHEMBL2473248 0.81 S1PR1 (0.37) S1PR1S1PR3
SCHEMBL3462820 0.81 S1PR1 (0.34) S1PR1S1PR3TP53
SCHEMBL2469786 0.80 S1PR1 (0.38) S1PR1S1PR3
SCHEMBL3462970 0.80 S1PR1 (0.36) S1PR1S1PR3
SCHEMBL2474440 0.80 S1PR1 (0.36) 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 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 1/4885S1PR3 3/4885NR1H4 158/4885

“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.