SCHEMBL5035318

SCHEMBL5035318

Cc1cnc(S(N)(=O)=O)s1.[KH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.45
CA2 P00918 14/20 0.38
CA1 P00915 12/20 0.38
CA9 Q16790 9/20 0.38
CA12 O43570 8/20 0.38
CA4 P22748 8/20 0.38
CA7 P43166 6/20 0.38
CA14 Q9ULX7 6/20 0.38
CA5A P35218 6/20 0.38
CA5B Q9Y2D0 6/20 0.38
CA6 P23280 5/20 0.38
CA13 Q8N1Q1 3/20 0.38
CA3 P07451 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
CA11 O75493 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5036432 0.98 NOS1 (0.46) NOS1CA2CA1CA9CA12
SCHEMBL31527670 0.96 NOS1 (0.45) NOS1CA2CA1CA9CA12
SCHEMBL3439198 0.78 NOS1 (0.43) NOS1CA2CA1CA4CA5A
SCHEMBL5039505 0.77 NOS1 (0.41) NOS1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL5323208 0.77 NOS1 (0.41) NOS1KMT2ATDP1MEN1SMN1; SMN2
SCHEMBL20679861 0.75 NOS1 (0.40) NOS1SMN1; SMN2PKMFDPS
SCHEMBL1548616 0.72 CA2 (0.39) CA2CA1CA9CA12CA4
SCHEMBL9095017 0.72 CA2 (0.39) CA2CA1CA9CA12CA4
SCHEMBL19475256 0.72 CDK2 (0.41) CA2CA1CA9CA12CA4
SCHEMBL20679880 0.69 NOS1 (0.35) NOS1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149091-B1 4-(HETEROCYCLYLSULFONAMIDO)-5-METHOXY-6-(2-METHOXYPHENOXY)-2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
EP-1185525-B1 4-HETEROCYCLYLSULFONAMIDYL-6-METHOXY-5-(2-METHOXY-PHENOXY)-2-PYRIDYL-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
US-6521631-B2 N-(6-methoxy-5-(2-methoxy-phenoxy)-2-pyridin-4-yl-pyrimidin-4 -yl)) 5-isopropyl-pyridine-2-sulfonamide; treatment of disorders which are associated with abnormal vascular tone and endothelial dysfunction. HOFFMANN-LA ROCHE INC. 2003-02-18 US disclosed
US-20020137933-A1 Heterocyclic sulfonamides BREU VOLKER (DE) 2002-09-26 US disclosed
US-6417360-B1 ENDOTHELIN RECEPTOR INHIBITORS; CARDIOVASCULAR DISORDERS, HEART FAILURE HOFFMANN-LA ROCHE INC. 2002-07-09 US disclosed
EP-1185525-A1 4-HETEROCYCLYLSULFONAMIDYL-6-METHOXY-5-(2-METHOXY-PHENOXY)-2-PYRIDYL-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ENDOTHELIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-03-13 EP disclosed
EP-1149091-A1 4-(HETEROCYCLYLSULFONAMIDO)-5-METHOXY-6-(2-METHOXYPHENOXY)-2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242601-B1 ENDOTHELIN RECEPTORS INHIBITORS SUCH AS 4-(4-METHOXY-5-(2-METHOXY-PHENOXY)-6-(5-METHYL-PYRIDINE-2-SULF ONYLAMINO)-PYRIMIDIN-2-YL)-PYRIDINE-2-CARBOXYLIC ACID USED TO TREAT CARDIOVASCULAR SYSTEM DISORDERS HOFFMAN-LA ROCHE INC. 2001-06-05 US disclosed
WO-2000052007-A1 4-HETEROCYCLYSULFONAMIDYL-6-METHOXY-5-(2-METHOXY-PHENOXY)-2-PYRIDYL-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ENDOTHELIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-09-08 WO disclosed
WO-2000042035-A1 4-(HETEROCYCLYLSULFONAMIDO) -5-METHOXY-6- (2-METHOXYPHENOXY) -2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-07-20 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-20020137933-A1 Heterocyclic sulfonamides ECE1, EDNRA, EDNRB NOS1 16/4885CA2 539/4885CA1 2330/4885

“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.