SCHEMBL3571998

SCHEMBL3571998

CCOC(=O)N1CCC(Nc2nc3cc(S(=O)(=O)CC)ccc3o2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.61
KCNH2 Q12809 2/20 0.61
HRH1 P35367 4/20 0.57
SSTR1 P30872 1/20 0.53
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49

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 0.91 SSTR5 (0.64) SSTR5KCNH2HRH1SSTR1MAPT
SCHEMBL3569354 0.90 SSTR5 (0.62) SSTR5KCNH2HRH1SSTR1MAPT
SCHEMBL3565666 0.86 MAP4K4 (0.54) SSTR5KCNH2HRH1SSTR1KDM4E
SCHEMBL3577996 0.85 NOS2 (0.59) SSTR5KCNH2SSTR1MAPTSMN1; SMN2
SCHEMBL3570794 0.84 SSTR5 (0.61) SSTR5KCNH2SSTR1MAPTSMN1; SMN2
SCHEMBL3573616 0.83 SSTR5 (0.62) SSTR5HRH1MAPTSMN1; SMN2MEN1
Bromide SCHEMBL9774884 0.82 SSTR5 (0.61) SSTR5HRH1MAPTSMN1; SMN2MEN1
SCHEMBL3568968 0.81 SSTR5 (0.60) SSTR5KCNH2SSTR1MAPTSMN1; SMN2
SCHEMBL5486583 0.79 SSTR5 (0.56) SSTR5KCNH2HRH1MAPTSMN1; SMN2
SCHEMBL3578252 0.79 SSTR5 (0.59) SSTR5HRH1SSTR1MAPTSMN1; 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 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 1/4885KCNH2 1728/4885HRH1 183/4885

“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.