SCHEMBL2473968

SCHEMBL2473968

CCn1nc(-c2nc(-c3ccc(Br)cc3C)no2)c2c1CC(C)(C)CC2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.35
OPRM1 P35372 3/20 0.33
OPRK1 P41145 2/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
S1PR3 Q99500 3/20 0.32
OPRD1 P41143 1/20 0.32
TSHR P16473 2/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 2/20 0.31
RAB9A P51151 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL13262673 0.90 S1PR1 (0.34) S1PR1NPC1S1PR3KMT2ATP53
SCHEMBL2470051 0.87 TP53 (0.43) S1PR1NPC1MAPTL3MBTL1TSHR
SCHEMBL3462877 0.86 S1PR1 (0.36) S1PR1S1PR3KMT2A
SCHEMBL3461503 0.86 S1PR1 (0.43) S1PR1S1PR3
SCHEMBL2467453 0.86 S1PR1 (0.36) S1PR1S1PR3
SCHEMBL2468846 0.84 OPRM1 (0.37) S1PR1OPRM1NPC1MAPTS1PR3
SCHEMBL2473493 0.84 S1PR1 (0.37) S1PR1S1PR3
SCHEMBL2470654 0.84 S1PR1 (0.41) S1PR1NPC1S1PR3KMT2ATP53
SCHEMBL2470325 0.83 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL6122864 0.83 PLAT (0.37) 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
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

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 1/4885OPRM1 224/4885OPRK1 180/4885

“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.