SCHEMBL5040964

SCHEMBL5040964

COc1ccc(C2CCOCC2)c2sc(NC(=O)N(C)[C@H]3CC[C@](C)(O)CC3)nc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.49
ADORA1 P30542 13/20 0.49
ADORA2B P29275 4/20 0.49
ADORA3 P0DMS8 1/20 0.49
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
PKM P14618 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM4 P08173 1/20 0.40

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
SCHEMBL6028857 1.00 ADORA2A (0.49) ADORA2AADORA1ADORA2BADORA3ALDH1A1
SCHEMBL5036082 0.92 ALDH1A1 (0.51) ADORA2AADORA1ADORA2BADORA3ALDH1A1
SCHEMBL5035824 0.90 ADORA2A (0.50) ADORA2AADORA1ADORA2BADORA3ALDH1A1
SCHEMBL5035822 0.90 ADORA2A (0.50) ADORA2AADORA1ADORA2BADORA3ALDH1A1
SCHEMBL5039395 0.90 ADORA2A (0.50) ADORA2AADORA1ADORA2BADORA3ALDH1A1
SCHEMBL5133408 0.88 ALDH1A1 (0.48) ADORA2AADORA1ADORA2BADORA3ALDH1A1
SCHEMBL5040911 0.87 ADORA2A (0.47) ADORA2AADORA1ADORA2BADORA3ALDH1A1
SCHEMBL5039672 0.87 ADORA2A (0.47) ADORA2AADORA1ADORA2BADORA3ALDH1A1
SCHEMBL5561806 0.87 ADORA2A (0.45) ADORA2AADORA1ADORA2BADORA3ALDH1A1
SCHEMBL5561811 0.87 ADORA2A (0.45) ADORA2AADORA1ADORA2BADORA3ALDH1A1

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 6 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
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
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 ADORA2A 2/4885ADORA1 1/4885ADORA2B 4/4885

“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.