SCHEMBL1121506

SCHEMBL1121506

NS(=O)(=O)c1cccc2nc(Cl)oc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.44
CA1 P00915 11/20 0.44
CA9 Q16790 9/20 0.44
MAPK1 P28482 1/20 0.40
CA12 O43570 7/20 0.40
CDK2 P24941 1/20 0.40
LMNA P02545 2/20 0.37
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CYP2C9 P11712 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
MAOB P27338 1/20 0.35
HTR6 P50406 1/20 0.35
PSMB8 P28062 1/20 0.35
PSMB5 P28074 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
NPC1 O15118 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
SCHEMBL1121456 0.80 CA2 (0.44) CA2CA1CA9MAPK1CA12
SCHEMBL1121372 0.76 SMN1; SMN2 (0.54) MAPK1LMNACYP2C9KDM4EMEN1
SCHEMBL9305490 0.73 ACHE (0.43) MAOBPSMB8PSMB5NPC1MEN1
SCHEMBL1121502 0.73 PSMB8 (0.40) MAOBPSMB8PSMB5NPC1ALDH1A1
SCHEMBL28295349 0.72 CA2 (0.49) CA2CA1CA9MAPK1CA12
SCHEMBL3954800 0.72 PSMB8 (0.59) MAOBPSMB8PSMB5NPC1ALDH1A1
SCHEMBL1463176 0.69 GABRP (0.41) CA2CA1CA9CA12MAOB
SCHEMBL12355752 0.69 ELANE (0.41) MAOBPSMB8PSMB5ALDH1A1
SCHEMBL30554057 0.69 ACLY (0.46) CA2CA1CA9MAPK1CA12
SCHEMBL28187058 0.69 ELANE (0.45)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101253171-B Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives HOFFMANN LA ROCHE 2011-06-15 CN disclosed
EP-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP disclosed
US-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES BINGGELI ALFRED 2009-06-25 US disclosed
CN-101253171-A Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives HOFFMANN LA ROCHE (CH) 2008-08-27 CN disclosed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 US disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO 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 (2 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-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES SSTR5, NPY5R, NPY1R CA2 1516/4885CA1 3265/4885CA9 1774/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R CA2 1516/4885CA1 3265/4885CA9 1774/4885

“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.