SCHEMBL5495814

SCHEMBL5495814

CC(C)C[C@H]1C(C(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.35
HCRTR2 O43614 1/20 0.32
ATM Q13315 1/20 0.30
CAPN9 O14815 1/20 0.30
CAPN1 P07384 1/20 0.30
CTSB P07858 1/20 0.30
MAPK1 P28482 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
SCHEMBL8112149 1.00 SPHK1 (0.35) SPHK1HCRTR2ATMCAPN9CAPN1
SCHEMBL8145278 1.00 SPHK1 (0.35) SPHK1HCRTR2ATMCAPN9CAPN1
SCHEMBL8112146 1.00 SPHK1 (0.35) SPHK1HCRTR2ATMCAPN9CAPN1
SCHEMBL14750633 0.87 SPHK1 (0.38) SPHK1HCRTR2
SCHEMBL5496374 0.86 SPHK1 (0.34) SPHK1HCRTR2
SCHEMBL5849654 0.84 SPHK1 (0.31) SPHK1
SCHEMBL7321665 0.82 SPHK1 (0.32) SPHK1
SCHEMBL7284303 0.82 SPHK1 (0.34) SPHK1HCRTR2
SCHEMBL8919455 0.82 SPHK1 (0.44) SPHK1
SCHEMBL7288124 0.81 SPHK1 (0.34) SPHK1HCRTR2ATM

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
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-01-04 US disclosed
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-01-04 US disclosed
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-01-04 US disclosed
US-7144901-B2 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO.,LTD. (JP) 2006-12-05 US disclosed
US-20040204368-A1 Oxadiazole derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 US disclosed
US-20030166573-A1 Such as (2S)-N-((2S)-4-methyl-1-(5-(1-methylethylthio)1,3,4-oxadiazol-2-yl)-1-oxo-2 -pentyl)-2-benzyloxycarbonylamino-4-methylpentanamide for inhibition of cysteine proteases; antiinflammatory agents ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-04 US disclosed
EP-1234820-A1 OXADIAZOLE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-28 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 (3 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-20040204368-A1 Oxadiazole derivative compounds and drugs containing these compounds as the active ingredient ACIN1, CASP3, CASP7 SPHK1 4624/4885HCRTR2 2213/4885ATM 50/4885
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ACIN1, CYCS, CASP7 SPHK1 4576/4885HCRTR2 647/4885ATM 293/4885
US-20030166573-A1 Such as (2S)-N-((2S)-4-methyl-1-(5-(1-methylethylthio)1,3,4-oxadiazol-2-yl)-1-oxo-2 -pentyl)-2-benzyloxycarbonylamino-4-methylpentanamide for inhibition of cysteine proteases; antiinflammatory agents ACIN1, CASP7, ASNS SPHK1 4317/4885HCRTR2 2046/4885ATM 345/4885

“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.