SCHEMBL1781272

SCHEMBL1781272

COc1cc(OC)cc(-c2nsc(=O)o2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 12/20 0.56
HPGD P15428 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
PSMB11 A5LHX3 1/20 0.43
PSMD11 O00231 1/20 0.43
PSMD12 O00232 1/20 0.43
PSMD14 O00487 1/20 0.43
PSMA7 O14818 1/20 0.43
PSMD3 O43242 1/20 0.43
PSMC3 P17980 1/20 0.43
PSMB1 P20618 1/20 0.43
PSMA1 P25786 1/20 0.43
PSMA2 P25787 1/20 0.43
PSMA3 P25788 1/20 0.43
PSMA4 P25789 1/20 0.43
PSMB9 P28065 1/20 0.43
PSMA5 P28066 1/20 0.43
PSMB4 P28070 1/20 0.43
PSMB6 P28072 1/20 0.43

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
SCHEMBL1783240 0.84 PSMB8 (0.63) PSMB8HPGDALDH1A1KDM4EPSMB11
SCHEMBL1425626 0.83 PSMB8 (0.62) PSMB8HPGDALDH1A1KDM4EPSMB11
SCHEMBL11393873 0.76 PSMB8 (0.53) PSMB8HPGDALDH1A1KDM4EPSMB11
SCHEMBL18490154 0.72 PSMB8 (0.43) PSMB8HPGDALDH1A1KDM4EPSMB11
SCHEMBL9637871 0.71 ALDH1A1 (0.59) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL4113266 0.70 PSMB8 (0.59) PSMB8HPGDALDH1A1PSMB11PSMD11
SCHEMBL11390565 0.69 PSMB8 (0.56) PSMB8HPGDALDH1A1PSMB11PSMD11
SCHEMBL1781114 0.68 PSMB8 (0.69) PSMB8HPGDALDH1A1KDM4EPSMB11
SCHEMBL1504647 0.67 PSMB8 (0.61) PSMB8PSMB11PSMD11PSMD12PSMD14
SCHEMBL12811414 0.67 PSMB8 (0.54) PSMB8HPGDALDH1A1KDM4EHSD17B10

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-20110118274-A1 PROTEASOME INHIBITORS AND THEIR USE IN TREATING PATHOGEN INFECTION AND CANCER CORNELL RESEARCH FOUNDATION, INC. (US) 2011-05-19 US claimed
WO-2009026579-A1 PROTEASOME INHIBITORS AND THEIR USE IN TREATING PATHOGEN INFECTION AND CANCER CORNELL RESEARCH FOUNDATION, INC. (US) 2009-02-26 WO claimed
US-20110118274-A1 PROTEASOME INHIBITORS AND THEIR USE IN TREATING PATHOGEN INFECTION AND CANCER CORNELL RESEARCH FOUNDATION, INC. (US) 2011-05-19 US disclosed
WO-2009026579-A1 PROTEASOME INHIBITORS AND THEIR USE IN TREATING PATHOGEN INFECTION AND CANCER CORNELL RESEARCH FOUNDATION, INC. (US) 2009-02-26 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-20110118274-A1 PROTEASOME INHIBITORS AND THEIR USE IN TREATING PATHOGEN INFECTION AND CANCER PSMB1, PSME1, PSMB2 PSMB8 22/4885HPGD 3370/4885ALDH1A1 3881/4885

“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.