SCHEMBL1337394

SCHEMBL1337394

COC(=O)CCc1ccc(-c2noc(-c3cncc4c3CCC(C)(C)C4)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.42
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
S1PR3 Q99500 4/20 0.35
S1PR5 Q9H228 3/20 0.35
S1PR4 O95977 2/20 0.35
HDAC1 Q13547 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
FFAR1 O14842 4/20 0.35

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
SCHEMBL1338576 0.95 S1PR1 (0.40) S1PR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1337475 0.90 S1PR1 (0.46) S1PR1S1PR3S1PR5S1PR4FFAR1
SCHEMBL1336492 0.87 S1PR1 (0.41) S1PR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1337453 0.84 NPC1 (0.39) S1PR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1337688 0.84 S1PR1 (0.41) S1PR1S1PR3S1PR5POLB
SCHEMBL1744007 0.83 TPH1 (0.36) S1PR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1742513 0.83 S1PR1 (0.38) S1PR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1744005 0.83 S1PR1 (0.39) S1PR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1338511 0.81 S1PR1 (0.44) S1PR1S1PR3S1PR5
SCHEMBL1338692 0.80 S1PR1 (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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387571-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS Almirall S.A. (ES) 2011-11-23 EP disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 US disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 US disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 US disclosed
US-8041930-B2 Data processing apparatus and method for controlling thread access of register sets when selectively operating in secure and non-secure domains ARM LIMITED (GB) 2011-10-18 US disclosed
EP-2210890-A1 Oxadiazole derivatives as S1P1 receptor agonists Almirall, S.A. (ES) 2010-07-28 EP disclosed
WO-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 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-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS S1PR1, S1PR3, S1PR2 S1PR1 1/4885MAPT 4226/4885NPC1 302/4885

“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.