SCHEMBL7021119

SCHEMBL7021119

COCCOCN(c1noc(C)c1Cl)S(=O)(=O)c1csc2ncccc12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 3/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
TP53 P04637 1/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7022948 0.86 EDNRA (0.35) KMT2ANPSR1CYP1A2POLBCYP2C9
SCHEMBL7021123 0.85 CYP1A2 (0.31) KMT2ANPSR1CYP1A2POLBCYP2C9
SCHEMBL7954079 0.81 KMT2A (0.32) KMT2ANPSR1CYP1A2POLBCYP2C9
SCHEMBL7021113 0.77
SCHEMBL7023302 0.76 EDNRA (0.37) KMT2APOLB
SCHEMBL24823033 0.75 NFE2L2 (0.35) POLB
SCHEMBL30296198 0.73 NFE2L2 (0.33)
SCHEMBL7017920 0.73 EDNRB (0.33) KMT2APOLBMAPT
SCHEMBL24822787 0.73 NFE2L2 (0.34)
SCHEMBL30743771 0.73 NFE2L2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0898571-B1 THIENO-PYRIDINE SULFONAMIDES, DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC (US) 2003-11-19 EP disclosed
US-6545014-B2 Glaucoma; adjusting concentration of nitric oxide; hypotensive, antispasmodic, antiischemic, cardiotonic agents; bronchodilators; urogentital disorders; agonists, antagonists for endothelin receptors TEXAS BIOTECHNOLOGY CORPORATION 2003-04-08 US disclosed
US-20020028829-A1 Thieno-pyridine sulfonamides derivatives thereof and related compounds that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-03-07 US disclosed
US-6329387-B2 ANTIHISTAMINE, ANTIINFLAMMATORY AGENTS, VISION DEFECTS TEXAS BIOTECHNOLOGY CORPORATION. 2001-12-11 US disclosed
US-20010014684-A1 THIENO-PYRIDINE SULFONAMIDES DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC. 2001-08-16 US disclosed
US-6013655-A HYPOTENSIVE AGENTS; RESPIRATORY SYSTEM DIISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-01-11 US disclosed
EP-0898571-A1 THIENO-PYRIDINE SULFONAMIDES, DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-03-03 EP disclosed
US-5804585-A INHIBIT BINDING OF ENDOTHELIN PEPTIDE TO ENDOTHELIN RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-09-08 US disclosed
WO-1997039000-A1 THIENO-PYRIDINE SULFONAMIDES, DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-10-23 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-20020028829-A1 Thieno-pyridine sulfonamides derivatives thereof and related compounds that modulate the activity of endothelin EDNRB, EDNRA, AGTR2 KMT2A 3756/4885NPSR1 31/4885CYP1A2 1961/4885
US-20010014684-A1 THIENO-PYRIDINE SULFONAMIDES DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN EDNRB, EDNRA, AGTR1 KMT2A 3624/4885NPSR1 29/4885CYP1A2 2130/4885

“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.