SCHEMBL3574530

SCHEMBL3574530

CSc1nc2cc(Cl)c(S(N)(=O)=O)cc2o1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.42
CA2 P00918 12/20 0.42
CA12 O43570 11/20 0.42
CA9 Q16790 11/20 0.42
CA7 P43166 5/20 0.40
CA3 P07451 4/20 0.40
CA4 P22748 4/20 0.40
CA6 P23280 4/20 0.40
CA5A P35218 4/20 0.40
CA14 Q9ULX7 4/20 0.40
CA5B Q9Y2D0 4/20 0.40
SSTR5 P35346 3/20 0.39
HRH1 P35367 2/20 0.37
CA13 Q8N1Q1 4/20 0.36
CISD1 Q9NZ45 1/20 0.36
LMNA P02545 1/20 0.35
MAOB P27338 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL3568640 0.79 CA1 (0.42) CA1CA2CA12CA9CA7
SCHEMBL3573726 0.75 HTT (0.50) CA1CA2CA12CA9LMNA
SCHEMBL5489532 0.72 CA2 (0.41) CA1CA2CA12CA9CA7
SCHEMBL9480678 0.71 MAPT (0.46) CA12CA9LMNAELANE
SCHEMBL4700580 0.71 LMNA (0.64) CA12CA9LMNAELANE
SCHEMBL4700527 0.70 LMNA (0.59) CA12CA9LMNA
SCHEMBL14508206 0.69 ELANE (0.39) LMNAELANE
SCHEMBL12384123 0.68 PIK3CG (0.56) LMNAELANE
SCHEMBL4699848 0.68 MAPT (0.56) LMNA
SCHEMBL11060396 0.68 LMNA (0.38) CA1CA2CA12CA9LMNA

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 CA1 2974/4885CA2 1232/4885CA12 3114/4885

“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.