SCHEMBL5035895

SCHEMBL5035895

COc1ccc(C2CCOCC2)c2sc(NC(=O)CC3CCOCC3)nc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
PI4KB Q9UBF8 2/20 0.50
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
PIK3C2G O75747 2/20 0.49
ADORA2A P29274 7/20 0.49
ADORA1 P30542 7/20 0.49
KDM4E B2RXH2 3/20 0.45
PKM P14618 1/20 0.45
ATM Q13315 1/20 0.45
CHRM4 P08173 1/20 0.45
ADORA2B P29275 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL5039405 0.94 ADORA2A (0.51) ALDH1A1MAPTTSHRHSD17B10PI4KB
SCHEMBL5039402 0.94 ADORA2A (0.51) ALDH1A1MAPTTSHRHSD17B10PI4KB
SCHEMBL5035845 0.93 ALDH1A1 (0.49) ALDH1A1MAPTTSHRHSD17B10PI4KB
SCHEMBL5044145 0.88 TSHR (0.48) ALDH1A1MAPTTSHRHSD17B10HPGD
SCHEMBL5566948 0.87 ALDH1A1 (0.47) ALDH1A1MAPTTSHRHSD17B10PI4KB
SCHEMBL14337671 0.86 ALDH1A1 (0.57) ALDH1A1MAPTTSHRHSD17B10HPGD
SCHEMBL6179672 0.86 ALDH1A1 (0.57) ALDH1A1MAPTTSHRHSD17B10HPGD
SCHEMBL5365518 0.84 ALDH1A1 (0.52) ALDH1A1MAPTTSHRHSD17B10HPGD
SCHEMBL5036344 0.82 ALDH1A1 (0.46) ALDH1A1MAPTTSHRHSD17B10HPGD
SCHEMBL24349660 0.82 ADORA2A (0.67) ALDH1A1MAPTTSHRHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371748-B2 Benzothiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2008-05-13 US claimed
EP-1636223-B1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-03-19 EP claimed
EP-1636223-A1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. Hoffman-la Roche AG (CH) 2006-03-22 EP claimed
WO-2005000842-A1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMAN-LA ROCHE AG (CH) 2005-01-06 WO claimed
US-20040235915-A1 Benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 US claimed
US-7371748-B2 Benzothiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1636223-B1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
EP-1636223-A1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. Hoffman-la Roche AG (CH) 2006-03-22 EP disclosed
WO-2005000842-A1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMAN-LA ROCHE AG (CH) 2005-01-06 WO disclosed
US-20040235915-A1 Benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 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-20040235915-A1 Benzothiazole derivatives ADORA1, ADORA2A, ADORA3 ALDH1A1 114/4885MAPT 252/4885TSHR 453/4885

“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.