SCHEMBL12832696

SCHEMBL12832696

CCC(C)(C)OS(=O)(=O)c1cccc2c(N(C)C)cccc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ CA2 P00918 1/20 0.56
▸ EDNRA P25101 8/20 0.50
▸ F2 P00734 3/20 0.49
▸ PRSS1 P07477 3/20 0.49
▸ PRSS2 P07478 3/20 0.49
▸ PRSS3 P35030 3/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.44
▸ NSD2 O96028 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL11887250 0.86 CA2 (0.61) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL11888406 0.82 CYP1A2 (0.61) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL19155154 0.80 CYP1A2 (0.63) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL12603022 0.80 CA2 (0.65) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL13274117 0.79 CYP1A2 (0.71) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL9674671 0.78 CA2 (0.63) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL12119426 0.78 CA2 (0.63) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL8394698 0.78 CA1 (0.49) CYP1A2CYP2C19CA2F2PRSS1
SCHEMBL12200891 0.77 CYP1A2 (0.56) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL8085718 0.77 CA2 (0.56) CYP1A2CYP2C19HTTHIF1ATDP1

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 2 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

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 CYP1A2 3507/4885CYP2C19 3954/4885HTT 2323/4885

“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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