SCHEMBL3568640

SCHEMBL3568640

NS(=O)(=O)c1cc2oc(S)nc2cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 15/20 0.42
CA2 P00918 14/20 0.42
CA12 O43570 13/20 0.42
CA9 Q16790 13/20 0.42
CA4 P22748 4/20 0.42
CA6 P23280 4/20 0.42
CA5A P35218 4/20 0.42
CA7 P43166 4/20 0.42
CA14 Q9ULX7 4/20 0.42
CA5B Q9Y2D0 4/20 0.42
CA3 P07451 3/20 0.42
CA13 Q8N1Q1 3/20 0.38
CISD1 Q9NZ45 1/20 0.38
SSTR5 P35346 3/20 0.38
MAOB P27338 1/20 0.37
HRH1 P35367 2/20 0.36
LMNA P02545 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 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
SCHEMBL3574530 0.79 CA1 (0.42) CA1CA2CA12CA9CA4
SCHEMBL21066316 0.77 AHR (0.39) LMNA
SCHEMBL11572467 0.76 AHR (0.38) LMNA
SCHEMBL6010846 0.71 LMNA (0.38) LMNANFKB1POLB
SCHEMBL3573965 0.71 TDP1 (0.43) CA1CA2CA12CA9CA4
SCHEMBL13543030 0.69 SSTR5 (0.55) CA1CA2CA12CA9CA4
SCHEMBL16391572 0.69 PGK1 (0.44)
SCHEMBL11138405 0.69 CA1 (0.42) CA1CA2CA12CA9CA4
SCHEMBL6497225 0.69 LMNA (0.63) CA12CA9LMNACYP3A4TSHR
SCHEMBL5014186 0.69 CA1 (0.70) CA1CA2CA12CA9CA4

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.