SCHEMBL3570347

SCHEMBL3570347

CCOC(=O)N1CCC(Nc2nc3cc(Cl)c(S(N)(=O)=O)cc3o2)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 9/20 0.64
HRH1 P35367 4/20 0.61
NOS2 P35228 3/20 0.46
NOS1 P29475 2/20 0.46
SSTR1 P30872 2/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
ENPP2 Q13822 1/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNH2 Q12809 1/20 0.44
NOS3 P29474 1/20 0.43
MAP4K4 O95819 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3569263 0.83 SSTR5 (0.64) SSTR5HRH1NOS2NOS1SSTR1
SCHEMBL3577996 0.81 NOS2 (0.59) SSTR5NOS2NOS1SSTR1KDM4E
SCHEMBL3578252 0.81 SSTR5 (0.59) SSTR5HRH1NOS2NOS1SSTR1
SCHEMBL3572694 0.80 SSTR5 (0.81) SSTR5HRH1SSTR1KCNH2
SCHEMBL3565666 0.80 MAP4K4 (0.54) SSTR5HRH1NOS2NOS1SSTR1
SCHEMBL3573286 0.79 SSTR5 (0.86) SSTR5HRH1SSTR1KCNH2
SCHEMBL3576446 0.79 SSTR5 (0.84) SSTR5HRH1SSTR1KCNH2
SCHEMBL3571998 0.79 SSTR5 (0.61) SSTR5HRH1NOS2NOS1SSTR1
SCHEMBL3567582 0.79 SSTR5 (0.80) SSTR5HRH1SSTR1KCNH2
SCHEMBL3576450 0.78 SSTR5 (0.87) SSTR5HRH1SSTR1KCNH2

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-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 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-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 SSTR5 1/4885HRH1 183/4885NOS2 1447/4885

“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.