SCHEMBL6000106

SCHEMBL6000106

Cc1ccc(-c2cc(O)cc3sc(=O)oc23)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.77
ALDH1A1 P00352 1/20 0.67
POLB P06746 1/20 0.67
CTDSP1 Q9GZU7 1/20 0.67
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
MAOB P27338 5/20 0.43
MAOA P21397 3/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
MIF P14174 1/20 0.43
CA2 P00918 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
PON1 P27169 1/20 0.40
ESR1 P03372 3/20 0.40
ESR2 Q92731 2/20 0.40
ADORA3 P0DMS8 3/20 0.38

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
SCHEMBL6002064 0.85 MAPT (0.73) MAPTALDH1A1POLBCTDSP1MEN1
SCHEMBL6001366 0.85 MAPT (0.68) MAPTALDH1A1POLBCTDSP1MEN1
SCHEMBL31196638 0.85 MAPT (0.68) MAPTALDH1A1POLBCTDSP1MEN1
SCHEMBL5307613 0.85 MAPT (0.68) MAPTALDH1A1POLBCTDSP1MEN1
SCHEMBL6002075 0.85 MAPT (0.67) MAPTALDH1A1POLBCTDSP1MEN1
SCHEMBL6001485 0.85 MAPT (0.72) MAPTALDH1A1POLBCTDSP1MEN1
SCHEMBL6000117 0.80 MAPT (0.69) MAPTALDH1A1POLBCTDSP1MEN1
SCHEMBL6001557 0.78 MAPT (0.67) MAPTALDH1A1POLBCTDSP1MEN1
SCHEMBL15503719 0.76 MAPT (1.00) MAPTALDH1A1POLBCTDSP1MEN1
SCHEMBL6001497 0.76 MAPT (0.72) MAPTALDH1A1POLBCTDSP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060234987-A1 Neuroprotective benzo 1 3 oxathiol 2 ones JAQUITH JAMES B 2006-10-19 US claimed
WO-2005012281-A1 NEUROPROTECTIVE BENZO[1,3]OXATHOL-2-ONES AEGERA THERAPEUTICS INC. (CA) 2005-02-10 WO claimed
US-20060234987-A1 Neuroprotective benzo 1 3 oxathiol 2 ones JAQUITH JAMES B 2006-10-19 US disclosed
WO-2005023762-A1 PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2005-03-17 WO disclosed
WO-2005012281-A1 NEUROPROTECTIVE BENZO[1,3]OXATHOL-2-ONES AEGERA THERAPEUTICS INC. (CA) 2005-02-10 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-20060234987-A1 Neuroprotective benzo 1 3 oxathiol 2 ones NLN, SMN1; SMN2, TXN2 MAPT 204/4885ALDH1A1 568/4885POLB 3034/4885

“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.