SCHEMBL5035323

SCHEMBL5035323

NS(=O)(=O)c1ccc(CO)cn1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.55
CA12 O43570 10/20 0.55
CA1 P00915 10/20 0.55
CA9 Q16790 10/20 0.55
CA4 P22748 6/20 0.55
CA6 P23280 5/20 0.55
CA5A P35218 5/20 0.55
CA7 P43166 5/20 0.55
CA14 Q9ULX7 5/20 0.55
CA13 Q8N1Q1 2/20 0.55
CA5B Q9Y2D0 3/20 0.52
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
PTGS2 P35354 1/20 0.38
KMT2A Q03164 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
SCHEMBL12409435 0.82 CA2 (0.57) CA2CA12CA1CA9CA4
SCHEMBL5036445 0.82 HTR2A (0.40) CA2CA12CA1CA9CA4
SCHEMBL31726618 0.81 CA2 (0.55) CA2CA12CA1CA9CA4
SCHEMBL22792159 0.81 CA2 (0.55) CA2CA12CA1CA9CA4
Hydrochloric Acid SCHEMBL23144996 0.81 CA2 (0.55) CA2CA12CA1CA9CA4
SCHEMBL29995663 0.81 PIK3CD (0.39) CA2CA12CA1CA9CA4
SCHEMBL20489229 0.81 PIK3CD (0.39) CA2CA12CA1CA9CA4
SCHEMBL7421043 0.78 CA2 (0.47) CA2CA12CA1CA9CA4
SCHEMBL20681235 0.77 CA2 (0.50) CA2CA12CA1CA9CA4
SCHEMBL20668119 0.77 CA12 (0.50) CA2CA12CA1CA9CA4

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
US-20250059220-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2025-02-20 US disclosed
WO-2023121939-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-06-29 WO disclosed
WO-2023121939-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-06-29 WO disclosed
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-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-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-20250059220-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF SULT1E1, TPMT, SULT1A1 CA2 3804/4885CA12 3290/4885CA1 4104/4885

“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.