SCHEMBL2467596

SCHEMBL2467596

CCOC(=O)CNCCc1c(C)cc(-c2noc(-c3nn(Cc4cccnc4)c4c3CCC(C)(C)C4)n2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.37
S1PR3 Q99500 9/20 0.37
PKM P14618 1/20 0.34
RXFP3 Q9NSD7 5/20 0.33
ACHE P22303 1/20 0.32
BRD4 O60885 1/20 0.32
EP300 Q09472 1/20 0.32
CREBBP Q92793 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2470545 0.92 S1PR1 (0.39) S1PR1S1PR3RXFP3BRD4EP300
SCHEMBL2474835 0.86 S1PR1 (0.40) S1PR1S1PR3RXFP3BRD4EP300
SCHEMBL16503774 0.85 S1PR1 (0.35) S1PR1S1PR3RXFP3BRD4EP300
SCHEMBL6123129 0.84 GRIN1 (0.34) S1PR1S1PR3RXFP3NPC1LMNA
SCHEMBL3462223 0.84 S1PR1 (0.33) S1PR1S1PR3RXFP3BRD4EP300
SCHEMBL2473047 0.82 GRIN1 (0.33) S1PR1S1PR3RXFP3BRD4EP300
SCHEMBL3462283 0.81 S1PR1 (0.37) S1PR1S1PR3RXFP3BRD4EP300
SCHEMBL2469366 0.81 S1PR1 (0.42) S1PR1S1PR3
SCHEMBL2472398 0.77 S1PR1 (0.42) S1PR1S1PR3
SCHEMBL16497278 0.77 S1PR1 (0.35) 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 5 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
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 S1PR1 1/4885S1PR3 3/4885PKM 1913/4885

“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.