SCHEMBL8394698

SCHEMBL8394698

CCC(C)(C)OS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ F2 P00734 3/20 0.43
▸ PRSS1 P07477 3/20 0.43
▸ PRSS2 P07478 3/20 0.43
▸ PRSS3 P35030 3/20 0.43
▸ HTR6 P50406 2/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SCN1A P35498 2/20 0.39
▸ SCN2A Q99250 2/20 0.39
▸ SCN3A Q9NY46 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL5857763 0.84 CA1 (0.53) CA1CA2CA9F2PRSS1
SCHEMBL10338579 0.83 CA1 (0.52) CA1CA2CA9F2PRSS1
SCHEMBL2199067 0.79 CA1 (0.52) CA1CA2CA9F2PRSS1
SCHEMBL12832696 0.78 CYP1A2 (0.58) CA2F2PRSS1PRSS2PRSS3
SCHEMBL8332473 0.78 CA1 (0.50) CA1CA2CA9F2PRSS1
SCHEMBL27515369 0.78 HSD11B1 (0.37) CA2KDM4EALDH1A1
SCHEMBL2761905 0.78 CA1 (0.50) CA1CA2CA9F2PRSS1
SCHEMBL29732947 0.77 CA1 (0.57) CA1CA2CA9F2PRSS1
SCHEMBL1002263 0.77 CA1 (0.57) CA1CA2CA9F2PRSS1
SCHEMBL29093707 0.77 CA1 (0.57) CA1CA2CA9F2PRSS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910616-B2 Proteasome inhibitors NEREUS PHARMACEUTICALS, INC. (US) 2011-03-22 — — US disclosed
US-20090298906-A1 PROTEASOME INHIBITORS NEREUS PHARMACEUTICALS, INC. (US) 2009-12-03 — — US disclosed
EP-0773235-B1 Polymerization of alpha-olefins MITSUBISHI CHEM CORP (JP) 1999-05-26 — — EP disclosed
EP-0773235-A1 Polymerization of alpha-olefins MITSUBISHI CHEMICAL CORPORATION (JP) 1997-05-14 — — 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-20090298906-A1 PROTEASOME INHIBITORS PSMB1, PSME1, PSME3 CA1 3708/4885CA2 4532/4885CA9 3591/4885

“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.

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