SCHEMBL4006614

SCHEMBL4006614

O=S(=O)(O)c1ccc(-c2nsc(Cl)n2)s1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.47
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30

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
Hydrochloric Acid SCHEMBL27758748 1.00 PFKFB3 (0.47) PFKFB3CA1CA2CA12CA9
SCHEMBL391587 0.86 PFKFB3 (0.47) PFKFB3CA1CA2CA12CA9
SCHEMBL7082335 0.78 PTGS2 (0.39) PFKFB3CA1CA2CA12CA9
SCHEMBL9198944 0.71 L3MBTL1 (0.34) PFKFB3CA1CA2CA12CA9
SCHEMBL4491981 0.71 MAPT (0.41)
SCHEMBL4006194 0.71 MCL1 (0.36) CA1CA2CA4CA7
SCHEMBL2763566 0.68 IKBKB (0.50) CA1CA2CA12CA9
Hydrochloric Acid SCHEMBL27558699 0.68 KMT2A (0.45)
Hydrochloric Acid SCHEMBL27503318 0.67 HDAC3 (0.47) CA1CA2CA12CA9
SCHEMBL1416134 0.66 L3MBTL1 (0.46) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569562-B2 N-substituted heterocyclic sulfonamides ELAN PHARMACEUTICALS, INC. (US) 2009-08-04 US claimed
EP-1838701-A1 N-SUBSTITUTED HETEROCYCLIC SULFONAMIDES Elan Pharmaceuticals Inc. (US) 2007-10-03 EP claimed
US-20060270657-A1 N-substituted heterocyclic sulfonamides ELAN PHARMACEUTICALS, INC. 2006-11-30 US claimed
WO-2006078753-A1 N-SUBSTITUTED HETEROCYCLIC SULFONAMIDES ELAN PHARMACEUTICALS, INC. (US) 2006-07-27 WO claimed
US-7569562-B2 N-substituted heterocyclic sulfonamides ELAN PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
EP-1838701-A1 N-SUBSTITUTED HETEROCYCLIC SULFONAMIDES Elan Pharmaceuticals Inc. (US) 2007-10-03 EP disclosed
US-20060270657-A1 N-substituted heterocyclic sulfonamides ELAN PHARMACEUTICALS, INC. 2006-11-30 US disclosed
WO-2006078753-A1 N-SUBSTITUTED HETEROCYCLIC SULFONAMIDES ELAN PHARMACEUTICALS, INC. (US) 2006-07-27 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 (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-20060270657-A1 N-substituted heterocyclic sulfonamides SULT2A1, PSEN1, PSEN2 PFKFB3 3515/4885CA1 131/4885CA2 1677/4885

“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.